Publications

Research Group Publications

 
 
  • G. Santhosh And G. P. Nayaka, Nanoparticles in Construction Industry and Their Toxicity, Springer., Book Chapter, 133 - 146 (2022), DOI:https://doi.org/10.1007/978-3-030-76073-1_8.
  • Rohit Modee, Sheena Agarwal, Ashwini Verma, Kavita Joshi And U. Deva Priyakumar , DART: Deep Learning Enabled Topological Interaction Model for Energy Prediction of Metal Clusters and its Application in Identifying Unique Low Energy Isomers, Phys. Chem. Chem. Phys., , (2021), DOI:DOI https://doi.org/10.1039/D1CP02956H.
  • Ashakiran Maibam, Debalina Chakraborty, Krati Joshi And Sailaja Krishnamurty, Exploring edge functionalised blue phosphorene nanoribbons as novel photocatalysts for water splitting, New Journal of Chemistry., 45, 3570-3580 (2021).
  • Vidyanand Vijayakumar*, Arun Torris, Maria Kurian, Megha Mathew, Meena Ghosh, Ajay Khairnar, Manohar Badiger And Sreekumar Kurungot, Sulfonated Polyvinyl Alcohol Ionomer Membrane Favoring Smooth Electrodeposition of Zinc for Aqueous Rechargeable Zinc Metal Batteries, Sustainable Energy & Fuels., Just Accepted Manuscript, (2021).
  • Asiya M. Tamboli, Mohaseen S. Tamboli, Pravin Kumari Dwivedi, C. S. Praveen, Indrapal Karbhal, Manjusha V. Shelke, Bomyung Kim, Chinho Park* And Bharat B. Kale*, Engineering microstructure of LiFe(MoO4)2 as an advanced anode material for rechargeable lithium-ion battery, J Mater Sci: Mater Electron., , (2021), DOI:https://doi.org/10.1007/s10854-021-06892-5.
  • Debashree Roy, Ranguwar Rajendra, Pranav K. Gangadharan, Ajmal Pandikassala, Sreekumar Kurungot And Nirmalya Ballav, Seed-Mediated Growth of Pt on High-Index Faceted Au Nanocrystals: The Ag Lining and Implications for Electrocatalysis, ACS Appl. Nano. Mater., Just Accepted Manuscript, (2021), DOI:10.1021/acsanm.1c01714.
  • Sachin Kumar, Roby Soni And Sreekumar Kurungot , PdP/WO3 Multi-functional Catalyst with High Activity and Stability for Direct Liquid Fuel Cells (DLFCs), Sustainable Energy & Fuels., Just Accepted Manuscript, (2021), DOI:10.1039/D1SE00584G.
  • Supriya Hanmant Gaikwad and Shatabdi Porel Mukhejee*, MoO2/N-Doped-Carbon Nanosheets as a Surface-Enhanced Raman Scattering Substrate for Organic Dye Detection, ACS Applied Nano Materials (Under revision)., , (2021).
    IF 5.097
  • Patni D And Jha S.K, Protonation-Deprotonation Switch Controls the Amyloid-Like Misfolding of Nucleic Acid Binding Domains of TDP-43, J. Phys. Chem. B., , (2021), DOI:https://doi.org/10.1021/acs.jpcb.1c03262.
  • Mishra P, Patni D And Jha S.K, A pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue, Biophys. Chem., 274, (2021).
    Article 106591
  • G.Santhosh And G.P.Nayaka, Cobalt recovery from spent Li-ion batteries using lactic acid as dissolution agent, Cleaner Engineering and Technology., 3, 100122 (2021), DOI:https://doi.org/10.1016/j.clet.2021.100122.
  • Mrunal V.Kangralkar, J.Manjanna, Naeemakhtar Momin, K.S.Rane, G.P.Nayaka And Vishnu A.Kangrlkar, Photocatalytic degradation of hexavalent chromium and different staining dyes by ZnO in aqueous medium under UV light, Environmental Nanotechnology, Monitoring & Management., 16, 100508 (2021), DOI:https://doi.org/10.1016/j.enmm.2021.100508.
  • Shridhar H. Thorat, Christy P. George, Parth S. Shaligram And Suresha P. R. and Rajesh G. Gonnade*, Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies, CrystEngComm., , (2021), DOI:10.1039/D1CE00032B.
  • Milan Kumar Bisai, Vishal Sharma, Rajesh G. Gonnade* And and Sakya S. Sen*, Reactivities of Silaimines with Boranes: From Cooperative B?H Bond Activation to Donor Stabilized Silyl Cation, Organomettalics., 40(13), 2133 - 2138 (2021), DOI:10.1021/acs.organomet.1c00273.
  • N. T. Patil, M. T. Patil, N. Sarkar, R. G. Gonnade* And M. S. Shashidhar* , Access to enantiomeric organic compounds with potential for synthesis via racemic conglomerates: Inositol derivatives as a case in point, Crystal Growth & Design., Just Accepted, (2021), DOI:10.1021/acs.cgd.1c00126.
  • Vir Bahadur, Rajesh Gonnade* Majid I. Tamboli, Shobhana Krishnaswamy And Mysore S. Shashidhar*, Construction of Two-Component Chemically Reactive Supramolecular Assemblies-Acyl Migration Reactions in Cocrystals of Napthalene-2,3-Diol and its Diesters, ChemPlusChem., , (2021), DOI:10.1002/cplu.202100139.
  • Houcine Bouzid, Steven Rodan, Kirandeep Singh, Youngjo Jin, Jinbao Jiang, Duhee Yoon, Hyun Yong Song And Young Hee Lee, Enhanced magnetic moment with cobalt dopant in SnS2 semiconductor, APL Materials., 9, 051106 (2021), DOI:10.1063/5.0048885.
  • Houcine Bouzid, Ramchandra Sahoo, Seok Joon Yun, Kirandeep Singh, Youngjo Jin, Jinbao Jiang, Duhee Yoon, Hyun Yong Song, Giheon Kim, Wooseon Choi, Young?Min Kim And Young Hee Lee, Multiple Magnetic Phases in Van Der Waals Mn?doped SnS2 Semiconductor, Advanced Functional Materials., 2102560, (2021), DOI:10.1002/adfm.202102560.
  • Prachi Kour, Mallu Chenna Reddy, * Shiv Pal, Siraj Sidhik, Tisita Das, Padmini Pandey, Shatabdi Porel Mukherjee, * Sudip Chakraborty, * Aditya D. Mohite And * and Satishchandra Ogale*, An Organic-Inorganic Perovskitoid with Zwitterion Cysteamine Linker and Its Crystal-Crystal Transformation to Ruddlesden-Popper Phase, Angew. Chem. (Just accepted)., , (2021), DOI:10.1002/anie.202105918.
    IF 12.959
  • Vidyanand Vijayakumar, Meena Ghosh, Paresh Kumar Samantaray, Sreekumar Kurungot, Martin Winter And Jijeesh Ravi Nair, 2D Nanomaterial-based Polymer Composite Electrolytes for Lithium-based Batteries, RSC Inorganic Materials Series., Book Chapter, Chapter 5 (2021), DOI:10.1039/9781839162596-00204.
    The Book Chapter written for the RSC Inorganic Materials Series. The link to the chapter is: https://pubs.rsc.org/en/content/chapter/9781839162596-00204/978-1-83916-259-6 Copyright year: 2021, Print ISBN: 978-1-78801-843-2, PDF eISBN: 978-1-83916-259-6, ePub eISBN 978-1-83916-260-2
  • Vijayakrishnan Jeyavani, Rajendra Kumar, Pattayil Alias Joy And and Shatabdi Porel Mukherjee*, MgB2/NaNO2-PVA Free-standing Composite Film as a Green Firework: A Step towards Environmental Sustainability, Polymer Bulletin (under review)., , (2021).
  • Bhaiyyasaheb Anurath Wavhal, Meena Ghosh, Sandeep Sharma, Sreekumar Kurungot And S. K. Asha , High-Voltage Non-Aqueous Hybrid Supercapacitor Based on N2200 Polymer Supported Over Multiwalled Carbon Nanotube, Nanoscale., Just Accepted Manuscript, (2021), DOI:10.1039/D1NR01422F.
  • Prachi Kour and Shatabdi Porel Mukherjee* , CsPbBr3/Cs4PbBr6 Perovskite@COF Nanocomposites for Visible-Light-Driven Photocatalytic Application in Water, Journal of Materials Chemistry A (JMC A)., 9, 6819 - 6826 (2021), DOI:https://doi.org/10.1039/D1TA00201E.
    IF: 11.301 (2019)
  • Ashakiran Maibam And Sailaja Krishnamurty, Nitrogen activation to reduction on a recyclable V-SAC/BN-graphene heterocatalyst sifted through Dual and Multiphilic descriptors, Journal of Colloid and Interface Science., 600, 480-491 (2021).
  • Ashakiran Maibam, Sawan Kumar Das, Pragnya Parmita Samal And Sailaja Kriahnamurty, Enhanced photocatalytic properties of a chemically modified blue phosphorene, RSC Advances., 11, 13348-1335 (2021).
  • Kayaramkodath Chandran Ranjeesh, Leena George, Ashakiran Maibam, Sailaja Krishnamurty And Sukumaran Santhosh Babu , A Durable Metalloporphyrin 2D?Polymer for Photocatalytic Hydrogen and Oxygen Evolution from River and Sea Waters, ChemCatChem., 13, 1717-1721 (2021).
  • Thillai Govindaraja Senthamaraikannan, Sailaja Krishnamurty And Selvaraj Kalaiperumal, Graphene based Frustuated Lewis Pairs as Bifunctional catalyst for CO2 reduction via dissociative chemisorption of Molecule H2: A periodic density functional prespective, New Journal of Chemistry., 45, 9959-9966 (2021).
  • Krati Joshi, Ashakiran Maibam And Sailaja Kriahnamurty, Finite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels, New Journal Chemistry., 45, 8217-8227 (2021).
  • Sachin Kochrekar, Ajit Kalekar, Shweta Mehta, Pia Damlin, Mikko Salomäki, Sari Granroth, Niko Meltola, Kavita Joshi And Carita Kvarnström, Copolymers of bipyridinium and metal (Zn & Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO2, RSC Advances., 11, 19844 - 19855 (2021).
  • Asiya M. Tamboli, Mohaseen S. Tamboli, C. S. Praveen, Pravin Kumari Dwivedi, Indrapal Karbhal, Suresh W. Gosavi, Manjusha V. Shelke And Bharat B. Kale*, Architecture of NaFe(MoO4)2 as a novel anode material for rechargeable lithium and sodium ion batteries, Applied Surface Science., 559, 149903 (2021), DOI:https://doi.org/10.1016/j.apsusc.2021.149903.
  • Apurva Patrike, Karthika Suresh, Malik Wahid, Vikash Chaturvedi And Manjusha V. Shelke*, Ice-colloidal templated carbon host for highly efficient, dendrite free Li metal anode, Carbon., 179, 256 - 265 (2021), DOI:https://doi.org/10.1016/j.carbon.2021.04.021.
  • Narugopal Manna, Santosh K. Singh, Geeta Pandurang Kharabe, Arun Torris And Sreekumar Kurungot , Zinc?Air Batteries Catalyzed Using Co3O4 Nanorod-Supported N?Doped Entangled Graphene for Oxygen Reduction Reaction, ACS Applied Energy Materials., Just Accepted Manuscript, (2021), DOI:10.1021/acsaem.1c00210.
  • Shankar B Dalavi, Sheena Agarwal, Pooja Deshpande, Kavita Joshi* And Bhagavatula L. V. Prasad*, Disordered but Efficient: Understanding the Role of Structure and Composition of the Co–Pt Alloy on the Electrocatalytic Methanol Oxidation Reaction, J. Phys. Chem. C., , (2021), DOI:https://doi.org/10.1021/acs.jpcc.0c10165.
    A systematic investigation of the electrocatalytic Methanol Oxidation Reaction (MOR) was carried out using a model Co:Pt alloy system with different compositions and structural arrangements of the Co and Pt atoms. The structural variations with the same alloy composition included those with disordered arrangement of Co and Pt atoms in a face-centered cubic (fcc) lattice and ordered arrangements in face-centered tetragonal (fct) lattices. Our investigations clearly show that structures with disordered arrangements with Co:Pt atomic ratios near to 1:1 display better electrocatalytic efficiencies even when compared to pure Pt. These experimental findings were then rationalized by means of Density Functional Theory (DFT) calculations. Electronic level signatures in terms of charge transfer and relative shift in the peaks of the d band for surface metal atoms are proposed to be the reasons for the superior catalytic activity of a particular composition over the others. An increase in the number of inequivalent sites for methanol adsorption in disordered systems appears to result in better catalytic performance in comparison with ordered systems.
  • Sushil S. Sakpal, Deborin Ghosh, Meghna A. Manae, Anirban Hazra And Sayan Bagchi, The Curious Case of Aqueous Warfarin: Structural Isomers or Distinct Excited States?, J. Phys. Chem. B., 125, 2871 - 2878 (2021), DOI:https://doi.org/10.1021/acs.jpcb.0c10824.
  • Indrapal Karbhal, Golu Parte, Apurva Patrike And Manjusha Shelke*, Electrospun Silicon-Based Nanocomposite Anodes for Lithium-Ion Batteries, Electrospinning for Advanced Energy Storage Applications, N. T. M. Balakrishnan and R. Prasanth (eds.), Materials Horizons: From Nature to Nanomaterials, Springer, Singapore., , 425 - 453 (2021), DOI:https://doi.org/10.1007/978-981-15-8844-0_15.
  • Apurva Patrike, M. Thripuranthaka, Golu Parte, Indrapal Karbhal And Manjusha Shelke*, Electrospun Carbon-Based Nanocomposites as Anodes for Lithium Ion Batteries, Electrospinning for Advanced Energy Storage Applications, N. T. M. Balakrishnan and R. Prasanth (eds.), Materials Horizons: From Nature to Nanomaterials, Springer, Singapore., , 393 - 423 (2021), DOI:https://doi.org/10.1007/978-981-15-8844-0_14.
  • Singh A K, Veetil A N And Nithyanandhan J, D-A-D Based Complementary Unsymmetrical Squaraine Dyes for Co-Sensitized Solar Cells: Enhanced Photocurrent Generation and Suppressed Charge Recombination Processes by Controlled Aggregation, ACS Appl. Energy Mater., 4 (Just Accepted), xxxx - xxxx (2021), DOI:10.1021/acsaem.0c02966.
  • Gourav Singla, Siddheshwar N Bhange, Mani Mahajan And Sreekumar Kurungot , Facile Synthesis of CNT Interconnected PVP-ZIF-8 Derived Hierarchical Porous Zn/N Co-doped Carbon Frameworks for Oxygen Reduction, Nanoscale., Just Accepted Manuscript, (2021), DOI:10.1039/D0NR09156A.
  • Meena Ghosh, Vidyanand Vijayakumar, Maria Kurian, Swati Dilwale And Sreekumar Kurungot , Naphthalene Dianhydride Organic Anode for ‘Rocking-Chair’ Zinc-Proton Hybrid Battery, Dalton Transactions., Just Accepted Manuscript, (2021), DOI:10.1039/D0DT04404K.
  • Pranav K. Gangadharan, Ajmal Pandikassala And Sreekumar Kurungot, Toward pH Independent Oxygen Reduction Reaction by Polydopamine Derived 3D Interconnected Iron Carbide Embedded Graphitic Carbon, ACS Appl. Mater. Interfaces., Just Accepted Manuscript, (2021), DOI:10.1021/acsami.0c18036.
  • Vidyanand Vijayakumar, Bihag Anothumakkool, Sreekumar Kurungot, Martin Winter And Jijeesh Ravi Nair, In Situ Polymerization Process: An Essential Design Tool for Lithium Polymer Batteries, Energy & Environmental Science., REVIEW, (2021), DOI:10.1039/D0EE03527K.
    Recently, the in situ polymerization process is widely employed as a robust fabrication tool for surpassing the intricacies related to the integration of PE in LPBs. Hence, in this review, we focus on the in situ polymerization processes that employ various polymerization methods (e.g., free-radical polymerization, ionic polymerization, electropolymerization, condensation polymerization, etc.), functional monomers and oligomers (e.g., acrylate, methacrylate, allyl and vinyl ethers, epoxides, etc.), and PE integration strategies for the fabrication of lithium (ion and metal) polymer batteries (LIPBs and LMPBs). Additionally, this review also evaluates the approaches that have been developed until now to implement the in situ processing of LPBs from large-sized pouch cells to flexible-/printable-batteries and even microbatteries.
  • Shibin Thundiyil, Sreekumar Kurungot* And and R. Nandini Devi*, Efficient Electrochemical Oxygen Reduction to Hydrogen Peroxide by Transition Metal-Doped Silicate Sr0.7Na0.3SiO3??, ACS Appl. Mater. Interfaces., 13(1), 382 - 390 (2021), DOI:10.1021/acsami.0c16311.
  • Pranav K. Gangadharan, Vidyanand Vijayakumar, Shijil A. Nediyirakkal, Roshni Tresa Fernandez, Adhrika V. Siddharthan And Sreekumar Kurungot, In situ preparation of ionomer as a tool for triple-phase boundary enhancement in 3D graphene supported Pt catalyst, Advanced Sustainable Systems., 5(1), 2000125 (2021), DOI:10.1002/adsu.202000125.
  • Liuqing Pang, Yuanyuan Miao, Siddheshwar N. Bhange, Alexandre Barras, Ahmed Addad, Pascal Roussel, Mohammed A. Amin, Sreekumar Kurungot, Sabine Szunerits And Rabah Boukherroub, Enhanced electrocatalytic activity of PtRu/nitrogen and sulphur co-doped crumbled graphene in acid and alkaline media, Journal of Colloid and Interface Science., Just Accepted Manuscript, (2021), DOI:10.1016/j.jcis.2021.01.049.
  • Rupali S. Mehare, Vikash Chaturvedi And Manjusha V. Shelke*, Synthesis and structural/electrochemical evaluation of N, S co?doped activated porous carbon spheres as efficient electrode material for supercapacitors, Electrochemical Science Advances., accepted, (2021), DOI:10.1002/elsa.202000021.
  • Pravin K. Dwivedi, Golu Parte, M. Thripuranthaka And manjusha Shelke*, High Efficiency Lithium Storage in 3D Composite Foam of Co3O4 Nanoparticles Integrated Carbon Nanohorns, Journal of Materials Science & Engineering B., 263, 114839 (2021).
  • Indrapal Karbhal, Aniruddha Basu, Apurva Patrike And Manjusha V. Shelke*, Laser Patterning of Boron Carbon Nitride Electrodes for Flexible Micro-Supercapacitor with Remarkable Electrochemical Stability/Capacity, Carbon., 171, 15667 - 15680 (2021).
  • Vandana A Mooss, Vidyanand Vijayakumar, Sreekumar Kurungot* And Anjali A Athawale*, Interconnected Polyaniline Nanostructures: Enhanced Interface for Better Supercapacitance Retention, Polymer., 212, 123169 (2021), DOI:10.1016/j.polymer.2020.123169.
  • Amrita Jain, Meena Ghosh, Marcin Krajewski, Sreekumar Kurungot And Monika Michalska, Biomass-derived activated carbon material from native European deciduous trees as an inexpensive and sustainable energy material for supercapacitor application, Journal of Energy Storage., 34, 102178 (2021), DOI:10.1016/j.est.2020.102178.
  • Bhupendra P. Mali, Soumya Ranjan Dash, Shrikant B. Nikama, Anisha Puthuvakkalc, Kumar Vanka And Kochunnoonny Manoj and Rajesh G. Gonnade*, Five Concomitant Polymorphs of Green Fluorescent Protein Chromophore (GFPc) Analogue: Understanding Variations in Photoluminescence with ?-Stacking Interactions, Acta Crystallographica Section B., , (2020).
  • Zinoy Manappadan, Shubham Kumar, Krati Joshi, Thillai Govindaraja, Sailaja Krishnamurty And Kaliaperumal Selvaraj, Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches, Journal of Hazardous Materials., 388, 121755 (2020), DOI:https://doi.org/10.1016/j.jhazmat.2019.121755.
  • Krati Joshi, Sailaja Krishnamurty And Dar Manzoor, Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters, Phys Chem Chem Phys., 22, 23351-2335 (2020).
  • Ambarish Kumar Singh, Ashakiran Maibam, Bharathkumar H Javaregowda, Rajesh Bhist, Ashwath Kudlu, Sailaja Krishnamurty, Kothandam Krishnamoorthy And Jayaraj Nithyanandhan, Unsymmetrical Squaraine Dyes for Dye-Sensitized Solar Cells: Position of Anchoring Group Controls the Orientation and Self-Assembly of Sensitizers on TiO2 Surface and Modulate …, Journal of Physical Chemistry, C., 124, 18436-1845 (2020).
  • Rahul A Jagtap, Pragnya Paramita Samal, C. P. Vinod, Sailaja Krishnamurty And Benudhar Punji, Iron-Catalyzed C (sp2)-H Alkylation of Indolines and Benzo [h] quinoline with Unactivated Alkyl Chlorides through Chelation-Assistance, ACS Catalysis., 10, 7312-7321 (2020).
  • Manoj Krishnat Patil And Supriya Hanmant Gaikwad and Shatabdi Porel Mukhejee*, Phase and Morphology-controlled Synthesis of Tunable Plasmonic MoO3-x Nanomaterials for Ultrasensitive Surface-Enhanced Raman Spectroscopy Detection, Journal of Physical Chemistry C (JPCC)., 124, 21082 - 21093 (2020), DOI:http://dx.doi.org/10.1021/acs.jpcc.0c06004.
    IF: 4.189 (2019)
  • Singh A K, Maibam A, Javaregowda B H, Bisht R, Kudlu A, Krishnamurty S, Krishnamoorthy K And Nithyanandhan J, Unsymmetrical Squaraine Dyes for Dye-Sensitized Solar Cells: Position of Anchoring Group Controls the Orientation and Self-Assembly of Sensitizers on TiO2 Surface and Modulate Its Flat Band Potential, J. Phys. Chem. C., 124, 18436 - 18451 (2020), DOI:10.1021/acs.jpcc.0c05176.
  • Meena Ghosh, Swati Dilwale, Vidyanand Vijayakumar And Sreekumar Kurungot, Scalable Synthesis of Manganese-Doped Hydrated Vanadium Oxide as a Cathode Material for Aqueous Zinc-Metal Battery, ACS Appl. Mater. Interfaces., 12 (43), 48542 - 48552 (2020), DOI:10.1021/acsami.0c13221.
  • Vidyanand Vijayakumar, Meena Ghosh, Maria Kurian, Arun Torris, Swati Dilwale, Manohar Badiger, Martin Winter And Jijeesh Nair And Sreekumar Kurungot, An In Situ Cross-linked Nonaqueous Polymer Electrolyte for Zinc-Metal Polymer Batteries and Hybrid Supercapacitors, SMALL., 16 (35), 2002528 (2020), DOI:DOI:10.1002/smll.202002528.
  • Rajith Illathvalappil And Sreekumar Kurungot, Co9S8 Nanoparticle?Supported Nitrogen?doped Carbon as a Robust Catalyst for Oxygen Reduction Reaction in Both Acidic and Alkaline Conditions, ChemElectroChem., 7 (14), 3123 - 3134 (2020), DOI:10.1002/celc.202000786.
  • Vaishna Priya K., Minju Thomas, Rajith Illathvalappil, Shijina Kottarathil, Sreekumar Kurungot, Balagopal N Nair, A. Mohamed Peer, Anilkumar M. Gopinathan, Takeo Yamaguchi And Hareesh Unnikrishnan Nair Saraswathy, Template assisted Synthesis of Ni, N co-doped Porous Carbon from Ni Incorporated ZIF-8 Frameworks for Electrocatalytic Oxygen Reduction Reaction, New Journal of Chemistry., 44, 12343 - 12354 (2020), DOI:10.1039/D0NJ01373K.
  • Shibin Thundiyil, Vinod Prabhakaran, Sreekumar Kurungot And R. Nandini Devi, Role of B site ion in bifunctional oxygen electrocatalysis: A structure property correlation study on doped Ca2Fe2O5 brownmillerites, Physical Chemistry Chemical Physics., 22, 15520 - 15527 (2020), DOI:10.1039/D0CP02391D.
  • Rajith Illathvalappil, Fayis Kanheerampockil, Priyanka S Walko, Suresh K Bhat, R. Nandini Devi And Sreekumar Kurungot , Hierarchical Nanoflower Arrays of Co9S8?Ni3S2 on Nickel Foam: Highly Efficient Binder?free Electrocatalyst for Overall Water Splitting Application, Chemistry - A European Journal., 26 (35), 7900 - 7911 (2020), DOI:10.1002/chem.202000839.
  • Ayasha Nadeema, Geeta Pandurang Kharabe, Dibya Prakash Biswal And Sreekumar Kurungot, Co@CoAl?LDH/NG Composite Catalyzed Al?H2O Based Battery for Simultaneous H2 Production and Electricity Generation, ChemElectroChem., 7 (12), 2582 - 2591 (2020), DOI:10.1002/celc.202000502.
  • Debasree Das And Sreekumar Kurungot, Porphyrin?Based Conducting Polymer Hydrogel for Supercapacitor Application, Energy Technology., 8 (6), 2000061 (2020), DOI:10.1002/ente.202000061.
  • Narugopal Manna, Nadeema Ayasha, Santosh K Sing And Sreekumar Kurungot , A NiFe Layered double hydroxide-Decorated N-Doped Entangled-Graphene Framework: A Robust Water Oxidation Electrocatalyst, Nanoscale Advances., 2 (1), 709 - 1717 (2020), DOI:10.1039/C9NA00808J.
  • Meena Ghosh, Vidyanand Vijayakumar, Bihag Anothumakkool And Sreekumar Kurungot, Nafion ionomer based single component electrolytes for aqueous Zn/MnO2 battery with long cycle life, ACS Sustainable Chem. Eng., 8 (13), 5040 - 5049 (2020), DOI:10.1021/acssuschemeng.9b06798.
  • Siddheshwar N. Bhange, Roby Soni, Gourav Singla, Thalasseril G. Ajithkumar And Sreekumar Kurungot, FeNx/FeSx-Anchored Carbon Sheet-Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction, ACS Appl. Nano Mater., 3 (3), 2234 - 2245 (2020), DOI:10.1021/acsanm.9b02335.
  • Sachin Kumar, Siddheshwar N. Bhange, Roby Soni And Sreekumar Kurungot, WO3 Nanorods Bearing Interconnected Pt Nanoparticle Units as an Activity Modulated and Corrosion Resistant Carbon-free System for PEMFCs, ACS Applied Energy Materials., 3(2), 1908 - 1921 (2020), DOI:10.1021/acsaem.9b02333.
  • S Chatterjee, T Haldar, D Ghosh And S Bagchi*, Electrostatic Manifestation of Micro-Heterogeneous Solvation Structures in Deep-Eutectic Solvents: A Spectroscopic Approach, J. Phys. Chem. B., 124, 3709 - 3715 (2020), DOI:https://doi.org/10.1021/acs.jpcb.9b11352.
  • Pavan Dongapure, Sayan Bagchi, S Mayadevi And R Nandini Devi*, Variations in activity of Ru/TiO2 and Ru/Al2O3 catalysts for CO2 hydrogenation: An investigation by in-situ infrared spectroscopy studies, Molecular Catalysis., 482, 110700 (1) - 110700 (6) (2020), DOI:https://doi.org/10.1016/j.mcat.2019.110700.
  • S.A.Rawool, A.Samanta, T.G.Ajithkumar, Y.Kar And V.Polshettiwar, Photocatalytic Hydrogen Generation and CO2 Conversion Using g-C3N4 Decorated Dendritic Fibrous Nanosilica: Role of Interfaces between Silica and g-C3N4, ACS APPLIED ENERGY MATERIALS., 3(9), 8150 (2020), DOI:10.1021/acsaem.0c01265.
  • S.Prasad, S.Ganisetti, A.Jana, S.Kant, P.K.Sinha, S.Tripathy, Kavya Illath, T.G.Ajithkumar, K.Annapurna, A.R.Allu And K.Biswas, Elucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass, JOURNAL OF ALLOYS AND COMPOUNDS., 831, 154705 (2020), DOI:10.1016/j.jallcom.2020.154704.
  • A.K.Mohammed, S.Usgaonkar, F.Kanheerampockil, S.Karak, A.Halder, M.Tharkar, M.Addicoat, T.G.Ajithkumar And R.Banerjee, Connecting Microscopic Structures, Mesoscale Assemblies, and Macroscopic Architectures in 3D-Printed Hierarchical Porous Covalent Organic Framework Foams, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY., 142(18), 8252 (2020), DOI:10.1021/jacs.0c00555.
  • V.S.Veena, Kavya Illath, A.Lazar, C.P.Vinod, T.G.Ajithkumar And S.Jayanthi, Dynamics in Amine-Functionalized Mesoporous Hybrid Materials Probed through Deuterium Magic Angle Spinning NMR and Molecular Dynamic Simulations, Journal of Physical Chemistry C., 124(11), 6154 (2020), DOI:10.1021/acs.jpcc.9b11948.
  • S.N.Bhange, R. Soni, G.Singla, T.G.Ajithkumar And S.Kurungot, FeNx/FeSx-Anchored Carbon Sheet-Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction, ACS APPLIED NANO MATERIALS., 3(3), 2234 (2020), DOI:10.1021/acsanm.9b02335.
  • A Sharma, C Mahajan And Arup K. Rath*, Reduction of trap and polydispersity in mutually passivated quantum dot solar cells, ACS Applied Energy Materials., 3, 8903 - 8911 (2020), DOI:https://doi.org/10.1021/acsaem.0c01378.
  • C. Mahajan, A. Sharma And Arup K. Rath*, Solution-Phase Hybrid Passivation for Efficient Infrared-Band Gap Quantum Dot Solar Cells, ACS Applied Materials & Interfaces., 12, 49840 - 49848 (2020), DOI:https://doi.org/10.1021/acsami.0c15703.
  • M Mandal, A Das And C Mukhopadhyay, Ubiquitin folds via a flip-twist-lock mechanism, Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics., 1868, 140299 (2020), DOI:https://www.sciencedirect.com/science/article/pii/S1570963919301852.
  • R Satija, A Das, S Mühle, J Enderlein And DE Makarov, Kinetics of Loop Closure in Disordered Proteins: Theory vs Simulations vs Experiments, Kinetics of Loop Closure in Disordered Proteins: Theory vs Simulations vs Experiments., 124, 3482 - 3493 (2020), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.0c01437.
  • Kaustav Bhattacharjee, Korak Biswas And and Bhagavatula L. V. Prasad, Unraveling the Role of Excess Ligand in Nanoparticle Pattern Formation from an Evaporatively Dewetting Nanofluid Droplet, Journal of Physical Chemistry C., 124, 23446 - 23453 (2020), DOI:10.1021/acs.jpcc.0c07259.
    Nanoparticle (NP) patterning on a solid surface via nanofluid droplet evaporation is one of the most fascinating topics of research. Quite intriguingly, though a dose of excess ligand has been invariably included in all of the experimental studies that resulted in large-area NP patterns, the role of this excess ligand has been addressed inadequately in the modeling studies carried out so far. Addressing this, we have conducted systematic studies by including excess ligand both in our experiments and modeling, and correlated the results with each other. For this, we prepared nearly monodispersed thiolprotected gold nanoparticle dispersion in toluene and added calculated amounts of excess thiol before drop-casting it onto a transmission electron microscopy (TEM) grid. Subsequently, upon solvent evaporation, the patterns formed were imaged using conventional electron microscopy and analyzed with customized image processing tools, to perform statistically significant measurements. Our study demonstrates the ability of soluble excess ligand to induce NP aggregation under nonequilibrium condition, leading to large-area monolayer formation. These experimental results were then rationalized by Monte Carlo simulations, based on a modified coarse-grained two-dimensional (2D) lattice-gas model. We found that excess ligand facilitates NP spinodal phase separation under nonequilibrium conditions, largely governed by the interplay between ligand?solvent and nanoparticle?ligand interactions. Using power spectrum density analysis, we clearly demonstrate that these spatial patterns have fractal surface characteristics due to persistent fractional Brownian motion within subdiffusion limit.
  • Shatabdi Porel Mukherjee* And Pattayil Alias Joy and Vijayakrishnan Jeyavani, POLYMERIC FLAMMABLE COMPOSITIONS, Provisional Patent filed on July 12, 2019, with CSIR No 2019-NF-0124 (application no 2019012837390), Final Submission on July 12., , (2020).
  • Ashvini B. Deshmukh, Pravin K. Dwivedi, Archana C. Nalawade, Mohammed S. Qureshi And Manjusha V. Shelke*, Highly durable Li-ion battery anode from Fe3O4 nanoparticles embedded in nitrogen-doped porous carbon with improved rate capabilities, Journal of Materials Science., 55, 15667 - 15680 (2020).
  • Poonam Yadav, Neha Sharma, Apurva Patrike, Ylias M. Sabri, Lathe A. Jones And Manjusha V. Shelke*, Electrochemical Evaluation of the Stability and Capacity of rGO Wrapped Copper Antimony Chalcogenide Anode for Li-Ion battery, ChemElectroChem., 7, 3291 - 3300 (2020).
  • Pravin K. Dwivedi, Aathira Nair, Rupali S. Mehare, Vikash Chaturvedi, Kavita Joshi* And Manjusha V. Shelke*, Experimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-Co3O4 conversion anodes for application in lithium-ion batteries, Nanoscale Advances., 2, 2914 - 2924 (2020).
  • Poonam Yadav, Wahid Malik, Pravin K Dwivedi, Lathe A. Jones And Manjusha V. Shelke*, Electrospun Nanofibers of Tin Phosphide (SnP0.94) Nanoparticles Encapsulated in a Carbon Matrix: A Tunable Conversion-cum-Alloying Lithium Storage Anode, Energy & Fuels., 34, 7648 - 7657 (2020).
  • Poulomi Sengupta, Vinay Agrawal And Bhagavatula L. V. Prasad*, Development of a Smart Scaffold for Sequential Cancer Chemotherapy and Tissue Engineering, ACS Omega., 5, 20724 - 20733 (2020), DOI:10.1021/acsomega.9b03694.
    The fabrication of a dual-functional drug-containing porous polymeric scaffold by layer-by-layer surface modification involving citrate-stabilized gold nanoparticles and cisplatin molecules is being reported. These scaffolds were characterized by electron microscopy and X-ray photoelectron spectroscopy. The capability of the scaffolds to release hydrated cisplatin in a slow and sustained manner over two days is established. Most importantly, the scaffolds turn nontoxic and cell-friendly after drug release, thus allowing the noncancerous fibroblast cells to adhere and proliferate (from 5000 cells to 16,000 cells in 6 days), becoming a potential solution toward an effective drug-carrying scaffold for volume-filling applications. The scaffold-mediated cancer cell killing and fibroblast cell proliferation were confirmed by fluorescence microscopy imaging, flow cytometry, and cell proliferation assays. We surmise that such a dual-purpose (drug-delivery and volume-filler) scaffold could help avoid the multiple surgical interventions needed for tumor surgery and cosmetic corrections. To the best of our knowledge, this is the first example of scaffolds with such a dual functionality which gets manifested in a sequential manner.
  • M. N. Aher, N. D. Erande, V. A. Kumar And M. Fernandes and R. G. Gonnade, Influence of fluorine substitution on the mol­ecular conformation of 3?-de­oxy-3?-fluoro-5-methyl­uridine, Acta Cryst. Section C., 76, 346 - 352 (2020), DOI:https://doi.org/10.1107/S2053229620003083.
  • C. P. George And E. Sangtani and R. G. Gonnade, Crystal structure of a 1:1 co-crystal of the anti­cancer drug gefitinib with azelaic acid, Acta Cryst. Section E., E76, 884 - 888 (2020), DOI:https://doi.org/10.1107/S2056989020006623.
  • Christy P. George, Sridhar Hanamant Thorat, Parth S Shaligram And P R Suresha and Rajesh G. Gonnade* , Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment, CrystEngComm., 22, (2020), DOI:https://doi.org/10.1039/D0CE00353K.
  • Sheena Agarwal, Shweta Mehta And Kavita Joshi*, Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy, New Journal of Chemistry., 44, 8545 - 8553 (2020), DOI:10.1039/D0NJ00633E.
    Density functional theory (DFT) is currently one of the most accurate and yet practical theories used to gain insight into the properties of materials. Although successful, the computational cost required is still the main hurdle even today. In recent years, there has been a trend of combining DFT with Machine Learning (ML) to reduce the computational cost without compromising accuracy. Finding the right set of descriptors that are simple to understand in terms of giving insights about the problem at hand, lies at the heart of any ML problem. In this work, we demonstrate the use of nearest neighbor (NN) distances as descriptors to predict the interaction energy between the cluster and an adsorbate. The model is trained over a size range of 5 to 75 atom clusters. When the training and testing is carried out on mutually exclusive cluster sizes, the mean absolute error (MAE) in predicting the interaction energy is ? 0.24 eV. MAE reduces to 0.1 eV when testing and training sets include information from the complete range. Furthermore, when the same set of descriptors are tested over individual sizes, the MAE further reduces to ?0.05 eV. We bring out the correlation between dispersion in the nearest neighbor distances and variation in MAE for individual sizes. Our detailed and extensive DFT calculations provide a rationale as to why nearest neighbor distances work so well. Finally, we also demonstrate the transferability of the ML model by applying the same recipe of descriptors to systems of different elements like (Na10), bimetallic systems (Al6Ga6, Li4Sn6, and Au40Cu40) and also different adsorbates (N2, O2, and CO).
  • Pravin K. Dwivedi, Aathira Nair, Rupali S. Mehare, Vikash Chaturvedi, Kavita Joshi* And Manjusha V. Shelke*, Experimental and theoretical investigations of the effect of hetero-atom doped Carbon micro-sphere support on stability and storage capacity of nano-Co3O4 conversion anode for Lithium-ion batteries, Nanoscale Advances., 2, 2914 - 2924 (2020), DOI:10.1039/D0NA00261E.
    Conversion type anode materials are intensely being studied for Li-ion batteries (LIBs) for their potentially higher capacities over current graphite-based anodes. This work describes the development of high capacity and stable anode from a nanocomposite of N and S co-doped Carbon spheres (NSCS) with Co3O4 (NSCS-Co3O4). Hydrothermal reaction of saccharose with L-cysteine has been carried out followed by its carbonization. CSs, when used as support for conversion type materials provide efficient electron/ion transfer channels enhancing the overall electrochemical performance of the electrodes. Additionally, hetero atoms doped in carbon matrix alter the electronic properties, often increasing the reactivity of the carbon surface and reported to be effective for anchoring metal oxide nanoparticles. Consequently, the NSCS-Co3O4nanocomposites developed in this work exhibit enhanced and stable reversible specific capacity over the cycling. Stable cycling behavior is observed at 1 Ag-1 with 1285 mAhg-1 of specific capacity retained after 350 cycles alongwith more than 99% of coulombic efficiency. This material shows an excellent rate capability with specific capacity retained to 745 mAhg-1 even at a high current density of 5 Ag-1. Detailed DFT based calculations have revealed the role of doped support in controlling the volume expansion upon lithiatio
  • Sheena Agarwal, Shweta Mehta, Nivedita Kenge, Siva Prasad Mekala, Vipul Patil, T. Raja And Kavita Joshi*, Mixed metal oxide: A new class of catalyst for methanol activation, Applied Surface Science., , (2020).
    In this work, we propose a mixed metal oxide as a catalyst and demonstrate it's ability to not only activate the MeOH molecule upon adsorption but also dissociate O-H and one of it's C-H bonds. MeOH activation is compared on two prominent facets of \znalo~ viz. (220) and (311). While spontaneous O-H bond dissociation is observed on both facets, C-H bond dissociates only on the (311) surface. Multiple factors like atomic arrangement and steps on the surface, coordination of surface atoms, and their effective charges have a combined effect on MeOH activation. The (311) surface offers higher catalytic activity in comparison with (220) surface. Having a stepped surface, availability of multiple sites, and variation in the charge distribution are some of the reasons for better catalytic performance of (311) facet. Effect of orientation of MeOH with respect to the surface adds both, information and complexity to the problem. Observations pertinent to understanding this effect are also reported. A detailed analysis of atomic arrangement on the two surfaces provides a rationale as to why MeOH gets dissociated spontaneously on the mixed metal oxide. The promising results reported here opens up a new class of catalyst for research.
  • Singh A K, Mele Kavungathodi M F And Nithyanandhan J, Alkyl-Group-Wrapped Unsymmetrical Squaraine Dyes for Dye-Sensitized Solar Cells: Branched Alkyl Chains Modulate the Aggregation of Dyes and Charge Recombination Processes, ACS Applied Materials & Interfaces., 12, 2555 - 2565 (2020), DOI:10.1021/acsami.9b19809.
  • Rajalaxmi Sahoo, D.S. Shankar Rao, Uma S. Hiremath, C.V. Yelamaggad, Pravin Shinde, B.L.V. Prasad And S. Krishna Prasad, Influence of gold nanorods on the structure and photonic bandgap in atwist grain boundary phase with smectic C* blocks, Journal of Molecular Liquids., 299, 112117(1 - 10) (2020), DOI:10.1016/j.molliq.2019.112117.
  • Pooja S. Deshpande, Vijay R. Chaudhari And and Bhagavatula L. V. Prasad, Mechanistic Aspects of Methanol Electro-Oxidation Reaction through Cyclic Voltammetry: Is It Correct to Blame Carbon Monoxide for Catalyst Poisoning?, Energy Technology., 8, 1900955(1 - 7) (2020), DOI:10.1002/ente.201900955.
  • Vedi Kuyil Azhagan M , Rabah Boukherroub* And Manjusha V Shelke*, Flexible Energy Storage Device Based on Poly(N-phenylglycine), an Incentive-Energy Pseudocapacitive Conducting Polymer, and Electrochemically Exfoliated Graphite Sheets, ACS Sustainable Chemistry & Engineering., 8, 6433 - 6441 (2020).
  • Shibin Thundiyil, Sreekumar Kurungot And R Nandini Devi, Synergistic effect of B site co-doping with Co and Ce in bifunctional oxygen electrocatalysis by oxygen deficient brownmilleriteBa2In2O5, Catalysis Today., Just Accepted Manuscript, (2020), DOI:10.1016/j.cattod.2020.05.046.
  • Pillai M And Jha SK, Early Metastable Assembly during the Stress-Induced Formation of Worm-like Amyloid Fibrils of Nucleic Acid Binding Domains of TDP-43, Biochemistry., 59 (2), 315 - 328 (2020).
  • K Shijina, Rajith Illathvalappil, S Nisa, GS Sailaja, A Peer Mohamed, Balagopal N Nair, Gopinathan M Anilkumar, Sreekumar Kurungot, Takeo Yamaguchi And US Hareesh, Fe3+ stabilized 3D cross-linked glycine-melamine formaldehyde networks as precursor for highly efficient oxygen reduction catalyst in alkaline media, Materials Letters., 264, 127365 (2020), DOI:10.1016/j.matlet.2020.127365.
  • Vidyanand Vijayakumar, Diddo Diddens, Andreas Heuer, Sreekumar Kurungot, Martin Winter And Jijeesh Ravi Nair, Dioxolanone anchored poly (allyl ether)-based cross-linked dual-salt polymer electrolytes for high-voltage lithium metal batteries, ACS Applied Materials & Interfaces., 12, 1, 567 - 579 (2020), DOI:10.1021/acsami.9b16348.
  • Gopalakrishnan Gopu Soma Sundaram Meenakshi Sundaram, Selvam Karthick, Krishnamurty Sailaja And Rajendran Karkuzhali, Theoretical study on cyclophane amide molecular receptors and its complexation behavior with TCNQ, Journal of Photochemistry and Photobiology B: Biology., 203, 111735 (2020).
  • Poonam Yadav, Pravin K. Dwivedi, Surendar Tonda, Rabah Boukherroub And Manjusha V. Shelke*, Metal and Non-metal Doped Metal Oxides and Sulfides. In:Green Photocatalysts, Environmental Chemistry for a Sustainable World, Springer., 34, 89 - 138 (2020).
  • Dhanraj B. Shinde, Ivan Vlassiouk, Marat Talipov And Sergei N. Smirnov, Exclusively Proton Conducting Membranes Based on Reduced Graphene Oxide Polymer Composites, ACS Nano., 13, 13136 (2019).
  • Srijan Chatterjee, Deborin Ghosh, Tapas Haldar, Pranab Deb, Sushil S. Sakpal, Samadhan H. Deshmukh, Somnath M. Kashid* And and Sayan Bagchi*, Hydrocarbon Chain-Length Dependence of Solvation Dynamics in Alcohol-Based Deep Eutectic Solvents: A Two-Dimensional Infrared Spectroscopic Investigation, J. Phys. Chem. B., 123, 9355 - 9363 (2019), DOI:https://doi.org/10.1021/acs.jpcb.9b08954.
  • Somnath M. Kashid, Reman K. Singh, Hyejin Kwon, Yung Sam Kim*, Arnab Mukherjee* And and Sayan Bagchi*, Arresting an Unusual Amide Tautomer Using Divalent Cations, J. Phys. Chem. B., 123, 8419 - 8424 (2019), DOI:https://doi.org/10.1021/acs.jpcb.9b08463.
  • H.S.Sasmal, A. Halder, S.Kunjattu, K.Dey, A.Nadol, T.G.Ajithkumar, P.R.Bedadur And R.Banerjee, Covalent Self-Assembly in Two Dimensions: Connecting Covalent Organic Framework Nanospheres into Crystalline and Porous Thin Films, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY., 141(51), 20371 (2019), DOI:10.1021/jacs.9b10788.
  • K.Anjali, T.G.Ajithkumar And P.A.Joy, Raman and Na-23 solid-state NMR studies on the lead-free ferroelectrics Bi-0.5(Na1-xKx)(0.5)TiO3 in the morphotropic phase boundary region, MATERIALS RESEARCH BULLETIN., 118, 110506 (2019), DOI:10.1016/j.materresbull.2019.110506.
  • C. Kalaiarasi, C. George, R. G. Gonnade And V. R. Hathwar and K. Poomani, Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole, Acta Cryst. Section B., B75, 942 - 953 (2019), DOI:https://doi.org/10.1107/S2052520619011272.
  • Kuntrapakam Hema Rajesh G. Gonnade and Kana M. Sureshan, Crystal?to?Crystal Synthesis of Helically Ordered Polymers of Trehalose by Topochemical Polymerization, Angewandte Chemie International Edition., 59, 2897 - 2903 (2019), DOI:https://doi.org/10.1002/anie.201914164.
  • Samir R. Shaikh, Rupesh L. Gawade, Deepak Kumar, Amol Kotmale, Rajesh G. Gonnade* And and Tobias Stürzer, Crystal Engineering for Intramolecular ?–? Stacking: Effect of Sequential Substitution of F on Molecular Geometry in Conformationally Flexible Sulfonamides, Crystal Growth & Design., 19, 5665 - 5678 (2019), DOI:10.1021/acs.cgd.9b00667.
  • O. A. Bangal, V. Chaturvedi, P. K. Ajeet Babu And M. V. Shelke, Impedance Analysis and Equivalent Circuit Modelling of Cells subjected to Sinusoidal Vibration Test using Electrochemical Impedance Spectroscopy, IEEE Transportation Electrification Conference (ITEC-India)., , 1 - 6 (2019), DOI:10.1109/ITEC-India48457.2019.ITECINDIA2019-232.
  • Vedi K. A. Muniraj, Pravin K. Dwivedi, Parikshit S. Tamhane, Sabine Szunerits, Rabah Boukherroub* And Manjusha V. Shelke*, High Energy Flexible Supercapacitor-Synergistic Effects of Polyhydroquinone and RuO2·xH2O with Micro-sized, Few Layered, Self-Supportive Exfoliated-Graphite Sheets, ACS applied materials & interfaces., 11, 18349 - 18360 (2019).
  • Rajith Illathvalappil, Leena George And Sreekumar Kurungot, Coexisting Few-Layer Assemblies of NiO and MoO3 Deposited on Vulcan Carbon as an Efficient and Durable Electrocatalyst for Water Oxidation, ACS Applied Energy Materials., 2 (7), 4987 - 4998 (2019), DOI:10.1021/acsaem.9b00665.
  • Ayasha Nadeema, Varchaswal Kashyap, Rakshitha Gururaj And Sreekumar Kurungot, [MoS4]2?-Intercalated NiCo Layered Double Hydroxide Nanospikes: An Efficiently Synergized Material for Urine to Direct H2 Generation, ACS Appl. Mater. Interfaces., 11 (29), 25917 - 25927 (2019), DOI:10.1021/acsami.9b06545.
  • Meena Ghosh, Vidyanand Vijayakumar And Sreekumar Kurungot, Dendrite Growth Suppression by Zn2+?Integrated Nafion Ionomer Membranes: Beyond Porous Separators toward Aqueous Zn/V2O5 Batteries with Extended Cycle Life, Energy Technology., 7 (9), 1900442 (2019), DOI:10.1002/ente.201900442.
  • Pranav K. G., Siddheshwar N Bhange, Nasrin Kabeer, Rajith Illathvalappil And Sreekumar Kurungot , NiCo2O4 Nanoarray on CNT Sponge: a Bifunctional Oxygen Electrode Material for Rechargeable Zn-Air Battery, Nanoscale Advances., 1, 3243 - 3251 (2019), DOI:10.1039/C9NA00311H.
  • Roby Soni And Sreekumar Kurungot, Fe2P4O12-Carbon Composite as a Highly Stable Electrode Material for Electrochemical Capacitors, New Journal of Chemistry., 43 (1), 399 - 406 (2019), DOI:10.1039/C8NJ04671A.
  • Varchaswal Kashyap, Roby Soni, Aljo Anand And Sreekumar Kurungot, Medium Modulated Oxygen Reduction Activity of Fe/Co Active Centre?engrafted Electrocatalysts, ChemElectroChem., 6 (11), 2956 - 2964 (2019), DOI:10.1002/celc.201900260.
  • Roby Soni, Siddheshwar N Bhange And Sreekumar Kurungot , 3-D Nanoribbon-Like Pt-Free Oxygen Reduction Reaction Electrocatalyst Derived from Waste Leather for Anion Exchange Membrane Fuel Cell and Zinc-Air Battery, Nanoscale., 11, 7893 - 7902 (2019), DOI:10.1039/C9NR00977A.
  • Kayaramkodath Chandran Ranjeesh, Rajith Illathvalappil, Sairam Dnyaneshwar Veer, Joseph Peter, Vivek Chandrakant Wakchaure, - Goudappagouda, K Vipin Raj, Sreekumar Kurungot And Sukumaran Santhosh Babu, Imidazole-linked Crystalline Two-Dimensional Polymer with Ultrahigh Proton-Conductivity, ournal of the American Chemical Society., 141 (38), 14950 - 14954 (2019), DOI:10.1021/jacs.9b06080.
  • Debanjan Chakraborty, Shyamapada Nandi, Rajith Illathvalappil, Dinesh Mullangi, Rahul Maity, Santosh K. Singh, Sattwick Haldar, Chathakudath P. Vinod, Sreekumar Kurungot* And Ramanathan Vaidhyanathan*, Carbon Derived from Soft Pyrolysis of a Covalent Organic Framework as a Support for Small-Sized RuO2 Showing Exceptionally Low Overpotential for Oxygen Evolution Reaction, ACS Omega., 4 (8), 13465 - 13473 (2019), DOI:10.1021/acsomega.9b01777.
  • Plawan Kumar Jha, Varchaswal Kashyap, Kriti Gupta, Vikash Kumar, Anil KrishnaDebnath, Debashree Roy, Shammi Rana, Sreekumar Kurungot And Nirmalya Ballava, In situ generated Mn3O4-reduced graphene oxide nanocomposite for oxygen reduction reaction and isolated reduced graphene oxide for supercapacitor applications, Carbon., 154, 285 - 291 (2019), DOI:10.1016/j.carbon.2019.08.012.
  • Abdul Khayum M, Meena Ghosh, Vidyanand Vijayakumar, Arjun Halder, Maryam Nurhuda, Sushil Kumar, Matthew Addicoat, Sreekumar Kurungot And * Rahul Banerjee*, Zinc Ion Interactions in a Two-Dimensional Covalent Organic Framework based Aqueous Zinc Ion Battery, Chemical Science., 10, 8889 - 8894 (2019), DOI:10.1039/C9SC03052B.
  • Abdul Khayum Mohammed, Vidyanand Vijayakumar, Arjun Halder, Meena Ghosh, Matthew Addicoat, Umesh Pandharinath Bansode, Sreekumar Kurungot And Rahul Banerjee, Weak Intermolecular Interactions in Covalent Organic Framework-Carbon Nanofiber based Crystalline, Yet Flexible Devices, ACS Appl. Mater. Interfaces., 11 (34), 30828 - 30837 (2019), DOI:10.1021/acsami.9b08625.
  • Sakharam B. Tayade , Rajith Illathvalappil , Vaidehi A. Lapalikar , Datta Markad , Sreekumar Kurungot , Bhalchandra Pujari And Avinash Kumbhar, Copper(II)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity, Dalton Transactions., 48, 11034 - 11044 (2019), DOI:10.1039/C9DT01983A.
  • Prem Singh, Sonika , Pranav K. Gangadharan, Ziyauddin Khan, Sreekumar Kurungot And Amit Jaiswal, Cubic Palladium Nanorattles with Solid Octahedron Gold Core for Catalysis and Alkaline Membrane Fuel Cell Applications, ChemCatChem., 11 (17), 4383 - 4392 (2019), DOI:10.1002/cctc.201900741.
  • Nagaraju Shilpa, Ayasha Nadeema And Sreekumar Kurungot, Glycine Induced Electrodeposition of Nanostructured Cobalt Hydroxide: A Bifunctional Catalyst for Overall Water?Splitting, ChemSusChem., 12 (24), 5300 - 5309 (2019), DOI:10.1002/cssc.201902323.
  • Fereshteh Chekin, Vladyslav Myshin, Ran Ye, Sorin Melinte, Santosh K Singh, Sreekumar Kurungot, Rabah Boukherroub And Sabine Szunerits, Graphene-modified electrodes for sensing doxorubicin hydrochloride in human plasma, Analytical and Bioanalytical Chemistry., 411 (8), 1509 - 1516 (2019), DOI:10.1007/s00216-019-01611-w.
  • Xiong Peng, Varchaswal Kashyap, Benjamin Ng, Sreekumar Kurungot, Lianqin Wang, John R Varcoe And William E Mustain, High-Performing PGM-Free AEMFC Cathodes from Carbon-Supported Cobalt Ferrite Nanoparticles, Catalysis., 9(3), 264 (2019), DOI:10.3390/catal9030264.
  • Roby Soni, Siddheshwar N. Bhange, Athira E, Rashmi Chetry And Sreekumar Kurungot , Synthesis of Ultrathin PEDOT on Carbon Nanotubes and Shear Thinning Xanthan Gum?H2SO4 Gel Electrolyte for Supercapacitors, ChemElectroChem., 6(6), 1861 - 1869 (2019), DOI:10.1002/celc.201801780.
  • Punitharasu V, Mele Kavungathodi M F, Singh A K And Nithyanandhan J, pi-Extended cis-Configured Unsymmetrical Squaraine Dyes for Dye-sensitized Solar Cells: Panchromatic Response, ACS Appl. Energy Mater., 2, 8464 - 8472 (2019), DOI:10.1021/acsaem.9b01341.
  • Subbiah Alwarappan Manila Ozhukil Valappil, Krati Joshi, Lisa John, Sailaja Krishnamurty, Bikash Jana, Amitava Patra And Vijayamohanan K. Pillai, Role of Structural Distortion in Stabilizing Electrosynthesized Blue-Emitting Phosphorene Quantum Dots, Journal of Physical Chemistry Letters., 10, 973 - 980 (2019), DOI:https://doi.org/10.1021/acs.jpclett.8b03600.
  • Pragnya Paramita Samal, Krati Joshi, Selvaraj Kaliaperumal And Sailaja Krishnamurty, Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule, Computational and Theoretical Chemistry., 1170, 112624 (2019), DOI:https://doi.org/10.1016/j.comptc.2019.112624.
  • Ashakiran Maibam, Thillai Govindaraja, Kaliaperumal Selvaraj And Sailaja Krishnamurty Publication date 2019/10/28, Dinitrogen Activation on Graphene Anchored Single Atom Catalysts: Local Site Activity or Surface Phenomena, The Journal of Physical Chemistry C., 123, 27492 - 27500 (2019), DOI:https://doi.org/10.1021/acs.jpcc.9b06757.
  • Selvam Karthick, Gandhi Sivaraman, Krishnamurty Sailaja And Gopalakrishnan Gopu, Effect of substitution on the excited state photophysical and spectral properties of boron difluoride curcumin complex dye and their derivatives: A time dependent-DFT study, Journal of Photochemistry and Photobiology B: Biology., 199, 11595 (2019), DOI:https://doi.org/10.1016/j.jphotobiol.2019.111595.
  • Manzoor Ahmad Dar And Sailaja Krishnamurty, Molecular and Dissociative Adsorption of Oxygen on Au–Pd Bimetallic Clusters: Role of Composition and Spin State of the Cluster, ACS omega., 4, 12687 - 12695 (2019), DOI:https://doi.org/10.1021/acsomega.9b01581.
  • Kalaiselvi Nallathamby Saravanan Karuppaih, Balakumar Kalimuthu, Mohammed Azeezulla Nazrulla And Sailaja Krishnamurty, An effective polysulfide trapping polar interlayer for high rate Li–S batteries, Journal of Materials Chemistry A., 7, 10067 - 10076 (2019), DOI:https://doi.org/10.1039/C9TA00233B.
  • MR Maliyappa, J Keshavayya, NM Mallikarjuna, P Murali Krishna, N Shivakumara, Telkar Sandeep, Krishnamurty Sailaja And Mohammed Azeezulla Nazrulla, Synthesis, characterization, pharmacological and computational studies of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole incorporated azo dyes, Journal of Molecular Structure., 1179, 630 - 641 (2019), DOI:https://doi.org/10.1016/j.molstruc.2018.11.041.
  • Ruijia Diao, GP Nayaka, Chengyi Zhu, Xiaohua Yu, Yannan Zhang, Ju Rong, Xiao Wang, Yingjie Zhang, Peng Dong, Mingyu Zhang, Xi Yang And Zhaolin Zhan, CePO4 Coated LiNi0. 6Co0. 2Mn0. 2O2 as Cathode Material and its Electrochemical Performance, Int. J. Electrochem. Sci., 14, 8070 - 8079 (2019).
  • Jufeng Zhang, Ting Ren, GP Nayaka, Peng Dong, Jianguo Duan, Xue Li, Yingjie Zhang And Ding Wang, Design of polydopamine-encapsulation multiporous MnO cross-linked with polyacrylic acid binder for superior lithium ion battery anode, Journal of Alloys and Compounds., 783, 341 - 348 (2019).
  • Zhongren Zhou, Peng Dong, Deyu Wang, Meng Liu, Jianguo Duan, GP Nayaka, Ding Wang, Cunying Xu, Yixin Hua And Yingjie Zhang, Silicon-titanium nanocomposite synthesized via the direct electrolysis of SiO2/TiO2 precursor in molten salt and their performance as the anode material for lithium ion batteries, Journal of Alloys and Compounds., 781, 362 - 370 (2019).
  • GP Nayaka, Yingjie Zhang, Peng Dong, Ding Wang, Zhongren Zhou, Jianguo Duan, Xue Li, Yan Lin, Qi Meng, KV Pai, J Manjanna And G Santhosh, An environmental friendly attempt to recycle the spent Li-ion battery cathode through organic acid leaching, Journal of Environmental Chemical Engineering., 7(1), 102854 (2019).
  • Vikash Chaturvedi, Saurabh Usangonvkar And Manjusha V. Shelke*, Synthesis of high surface area porous carbon from anaerobic digestate and it's electrochemical study as an electrode material for ultracapacitors, RSC Advances., 9, 36343 - 36350 (2019).
  • Tamal Das, Siddharth Ghule And Kumar Vanka, Insights Into the Origin of Life: Did It Begin from HCN and H2O?, ACS Central Science., 5, 1532 - 1540 (2019), DOI:https://pubs.acs.org/doi/10.1021/acscentsci.9b00520.
  • Anuj Kumar, Ankur Goswami, Kirandeep Singh, Ryan McGee, Thomas Thundat And Davinder Kaur, Magnetoelectric Coupling in Ni-Mn-In/PLZT Artificial Multiferroic Heterostructure and its Application in Mid IR Photothermal Modulation by External Magnetic Field, ACS Applied Electronic Materials., , (2019), DOI:10.1021/acsaelm.9b00435.
  • Srikanth Reddy Tulsani, Saptam Ganguly And Arup K. Rath, Inorganic metal iodide mediated solution phase surface passivation for quantum dot solar cell, Journal of Materials Science: Materials in Electronics., , (2019), DOI:10.1007/s10854-019-01992-9.
  • Srikanth Reddy Tulsani, Arup K.Rath And Dattatray J. Late, 2D-MoS2 nanosheets as effective hole transport materials for colloidal PbS quantum dot solar cells, Nanoscale Advances., , (2019), DOI:10.1039/C8NA00272J.
  • Debranjan Mandal, Prasenjit Nanda Goswami And Arup Kumar Rath, Thiol and Halometallate, Mutually Passivated Quantum Dot Ink for Photovoltaic Application, ACS Appl. Mater. Interfaces., , (2019), DOI:10.1021/acsami.9b07605.
  • Mishra P And Jha SK, Slow motion protein dance visualized using red edge excitation shift of a buried fluorophore, J. Phys. Chem. B., 123, 1256 - 1264 (2019).
  • Pillai M And Jha SK, The folding and aggregation energy landscapes of tethered RRM domains of human TDP-43 are coupled via a metastable molten globule-like oligomer, Biochemistry., 58, 608 - 620 (2019).
  • Vijayakrishnan Jeyavani, Sayali Pawar, Arun Dadwal, Pattayil Alias Joy And Shatabdi Porel Mukherjee*, Size-controlled Cobalt Ferrite Nanocrystals: Magnetically separable Reusable Nanocatalysts for Selective Oxidation of Styrene, ChemistrySelect., 4, 6524 - 6531 (2019), DOI:10.1002/slct.201900714.
  • Pushpendra Kumar, Pravin K. Dwivedi, Poonam Yadav And Manjusha V. Shelke*, Nanostructured Materials for Li-Ion Battery Applications. In:Emerging Nanostructured Materials for Energy and Environmental Science, Environmental Chemistry for a Sustainable World, Springer., 23, 105 - 172 (2019).
  • Swati Jadhav, Vikash Chaturvedi And Manjusha V. Shelke*, Recent Advances in Flexible Supercapacitors. In:Nanostructured Materials for Energy Related Applications, Environmental Chemistry for a Sustainable World, Springer., 24, 41 - 72 (2019).
  • Sandeep Sharma, Roby Soni, Sreekumar Kurungot And Asha Syamakumari, Rylene Diimide Based Alternate and Random Copolymers for Flexible Supercapacitor Electrode Materials with Exceptional Stability and High Power Density, The Journal of Physical Chemistry C., 123(4), 2084 - 2093 (2019), DOI:10.1021/acs.jpcc.8b11229.
  • Usgaonkar S, Deshmukh S, Biswas B, Karjule N, Yadav P, Nithyanandhan J And Kumaraswamy G, Light-Triggered, Spatially Localized Chemistry by Photoinduced Electron Transfer, Angew. Chem. Int. Ed., 58, 2715 - 2719 (2019), DOI:10.1002/anie.201812700.
  • Sil M C, Kavungathodi M F M And Nithyanandhan J, Effect and Position of Spiro-Bipropylenedioxythiophene pi-Spacer in Donor-pi-Spacer-Acceptor Dyes for Dye-Sensitized Solar Cell, Dyes and Pigments., 161, 313 - 323 (2019), DOI:10.1016/j.dyepig.2018.09.056.
  • Shibin Thundiyil, Sreekumar Kurungot And R. Nandini Devi , Bifunctional Oxygen Reduction and Evolution Activity in Brownmillerites Ca2Fe(1–x)CoxO5, ACS Omega., 4 (1), 31 - 38 (2019), DOI:10.1021/acsomega.8b02468.
  • Saleheen Bano, Yuvraj S. Negi, Rajith Illathvalappil, Sreekumar Kurungot And K. Ramya, Studies on nano composites of SPEEK/ethylene glycol/cellulose nanocrystals as promising proton exchange membranes, Electrochimica Acta., 293, 260 - 272 (2019), DOI:10.1016/j.electacta.2018.10.029.
  • Supriya Hanmant Gaikwad, Aswathi Koratti And Shatabdi Porel Mukherjee*, Facile tuning of Ag@AgCl cubical hollow nanoframes with efficient sunlight-driven photocatalytic activity, Applied Surface Science., 465, 413 - 419 (2019), DOI:10.1016/j.apsusc.2018.09.163.
    IF: 4.439
  • Pranab Deb, Geun Young Jin, Santosh K. Singh, Juran Moon, Hyejin Kwon, Aloke Das*, Sayan Bagchi* And and Yung Sam Kim*, Interconverting Hydrogen-Bonding and Weak n ? ?* Interactions in Aqueous Solution: A Direct Spectroscopic Evidence, J. Phys. Chem. Lett., 9, 5425 - 5429 (2018), DOI:https://doi.org/10.1021/acs.jpclett.8b02398.
  • V.S.Veena, Kavya Illath, A. Lazar, C.P.Vinod, T.G.Ajithkumar And S.Jayanthi, Distribution of water in the pores of periodic mesoporous organosilicates - a proton solid state MAS NMR study, PHYSICAL CHEMISTRY CHEMICAL PHYSICS., 20(46), 29351 (2018), DOI:10.1039/c8cp04902e.
  • Y.Soni, Kavya I, T.G.Ajithkumar And C.P.Vinod, One pot ligand exchange method for a highly stable Au-SBA-15 catalyst and its room temperature CO oxidation, CHEMICAL COMMUNICATIONS., 54(87), 12412 (2018), DOI:10.1039/c8cc06887a.
  • D.Durgalakshmi, R.A.Rakkesh, M.Kesavan, S.Ganapathy, T.G.Ajithkumar, S.Karthikeyan And S.Balakumar, Highly reactive crystalline-phase-embedded strontium-bioactive nanorods for multimodal bioactive applications, BIOMATERIALS SCIENCE., 6(7), 1764 (2018), DOI:10.1039/c8bm00362a.
  • A.K.Mandal, B. Mandal, Kavya Illath, T.G.Ajithkumar, A.Halder, P.K.Sinha And R.Sen, Preparation of colourless phosphate glass by stabilising higher Fe[II] in microwave heating, SCIENTIFIC REPORTS., 8, 6195 (2018), DOI:10.1038/s41598-018-24287-1.
  • A.R. Allu, S. Balaji, Kavya Illath, Chaithanya Hareendran, T.G.Ajithkumar, K.Biswas And K. Annapurna, Structural elucidation of NASICON (Na3Al2P3O12) based glass electrolyte materials: effective influence of boron and gallium, RSC ADVANCES., 8(26), 14422 (2018), DOI:10.1039/c8ra01676c.
  • A Das And DE Makarov, Dynamics of Disordered Proteins under Confinement: Memory Effects and Internal Friction, The Journal of Physical Chemistry B., 122, 9049 - 9060 (2018), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.8b06112.
  • Suresh Madhu, Rajesh G. Gonnade, Tamal Das, Kumar Vanka And Gangadhar J. Sanjayan, Twelve?Armed Hexaphenylbenzene?Based Giant Supramolecular Framework for Entrapping Guest Molecules, ChemPlusChem., 83, 1032 - 1037 (2018), DOI:https://doi.org/10.1002/cplu.201800478.
  • Majid I. Tamboli Durga Prasad Karothu Mysore S. Shashidhar Rajesh G. Gonnade Pan?e Naumov, Effect of Crystal Packing on the Thermosalient Effect of the Pincer?Type Diester Naphthalene?2,3?diyl?bis(4?fluorobenzoate): A?New Class?II Thermosalient Solid, Chemistry a European Journal., 24, 4133 - 4139 (2018), DOI:https://doi.org/10.1002/chem.201705586.
  • Mrinal Ghosh*, Arun K. Sikder*, Shaibal Banerjee* And and Rajesh G. Gonnade, Studies on CL-20/HMX (2:1) Cocrystal: A New Preparation Method and Structural and Thermokinetic Analysis, Crystal Growth & Design., 18, 3781 - 3793 (2018), DOI:DOI: 10.1021/acs.cgd.8b00015.
  • T. P. Radhakrishnan, Shatabdi Porel, Aparna Dutta Gupta And D. Ramakrishn, Nanoparticles embedded polymer film for anti bacterial application; Priority application IN 2007-DE2182 dated Oct 18, 2007, Indian Patent - IN2007DE02182 (A) and IN296215 (A1) dated Feb 17, 2017 Apr 22, 2016 and May 4, 2018., , (2018).
  • Thirumalaiswamy Raja*, Shatabdi Porel Mukherjee* And Marimuthu Prabu and Yogita Manikrao Shirke, A single step process for the oxidation of cyclohexane to adipic acid; Priority application IN 2017-11007873 dated Mar 7, 2017, WO patent - WO2018163198 dated Sep 13, 2018, Indian Patent - IN201711007873 dated Sep 14, 2018., , (2018).
  • Roby Soni, Vidyanand Vijayakumar And and Sreekumar Kurungot, Synthesis of Carbon Nanosheets and Nitrogen-doped Carbon Nanosheets from Perylene Derivatives for Supercapacitor Application, ACS Appl. Nano Mater., 1 (9), 4576 - 4586 (2018), DOI:10.1021/acsanm.8b00888.
  • Varchaswal Kashyap And Sreekumar Kurungot, Zirconium-Substituted Cobalt Ferrite Nanoparticle Supported N-doped Reduced Graphene Oxide as an Efficient Bifunctional Electrocatalyst for Rechargeable Zn–Air Battery, ACS Catalysis., 8 (4), 3715 - 3726 (2018), DOI:10.1021/acscatal.7b03823.
  • Meena Ghosh, Vidyanand Vijayakumar, Roby Soni And Sreekumar Kurungot, Rationally designed self-standing V2O5 electrode for high voltage non-aqueous all-solid-state symmetric (2.0 V) and asymmetric (2.8 V) supercapacitors, Nanoscale., 10, 8741 - 8751 (2018), DOI:10.1039/C8NR00805A.
  • Guohua Chu, Jie Xiao, Yingjie Zhang, Peng Dong, G P Nayaka, Qi Meng, Ding Wang, Xin Sun, Mark Baumgartel And Jinmei Ji, Multi-electrode System for Electrokinetic Remediation of Paddy Soil to Remove Toxic Metals, International Journal of Electrochemical Science., 13(12), 11335 - 11346 (2018).
  • Zhenping Qiu, Yingjie Zhang, Xuesong Huang, Jianguo Duan, Ding Wang, GP Nayaka, Xue Li And Peng Dong, Beneficial effect of incorporating Ni-rich oxide and layered over-lithiated oxide into high-energy-density cathode materials for lithium-ion batteries, Journal of Power Sources., 400, 341 - 349 (2018).
  • GP Nayaka, Yingjie Zhang, Peng Dong, Ding Wang, KV Pai, J Manjanna, G Santhosh, Jianguo Duan, Zhongren Zhou And Jie Xiao, Effective and environmentally friendly recycling process designed for LiCoO2 cathode powders of spent Li-ion batteries using mixture of mild organic acids, Waste management., 78, 51 - 57 (2018).
  • Xue Li, Ziyi Zhu, Girish Praveen Nayaka, Jianguo Duan, Ding Wang, Peng Dong, Ling Huang, Jinbao Zhao, Shigang Sun, Xiaohua Yu And Yingjie Zhang, Self-organized TiO2 network decorated with SnO2 nanoparticles as an anode for lithium-ion batteries, Journal of Alloys and Compounds., 752, 68 - 75 (2018).
  • G Santhosh, BS Madhukar, GP Nayaka, BC Hemaraju And B Siddaramaiah, Influence of gamma radiation on optical properties of Halloysite nanotubes incorporated polycarbonate nanocomposites, Radiation Effects and Defects in Solids., 173, 489 - 503 (2018).
  • G Santhosh, BS Madhukar, GP Nayaka And Basavarajaiah Siddaramaiah, Luminescent down-shifting aluminosilicate nanocomposites: an efficient UVA shielding material for photovoltaics, Journal of Materials Science: Materials in Electronics., 29(8), 6720 - 6729 (2018).
  • A Kumar, S Pawar, K Singh And D Kaur, Growth temperature modulated phase evolution and functional characteristics of high quality Pb1-x Lax (Zr0.9Ti0.1)O3 thin films, AIP Conference Proceedings., 1953, 100087 (2018).
  • D Mallick, R Barman, K Singh, R Prakash And D Kaur, Effect of Mg Content in Ag/Zn1-XMgXO/Cu Structure for Bipolar Resistive Switching Performances, Advanced Materials Letters., 9, 153 - 157 (2018).
  • Seok Joon Yun, Dhin Loc Duong, Manh-Ha Doan, Kirandeep Singh, Thanh Luan Phan, Wooseon Choi, Young-Min Kim And Young Hee Lee, Room-temperature ferromagnetism in monolayer WSe2 semiconductor via vanadium dopant, arXiv., , (2018), DOI:arXiv:1806.06479, 2018.
  • S Pawar, K Singh, S Sharma, A Pandey, S Dutta And D Kaur, Growth assessment and scrutinize dielectric reliability of c-axis oriented insulating AlN thin films in MIM structures for microelectronics applications, Materials Chemistry and Physics., 219, (2018).
  • S Pawar, A Kumar, K Singh And D Kaur, High magnetoelectric coupling in Si-integrated AlN/NiMnIn thin film double layers at room temperature, Applied Physics Letters., 113, 242902 (2018).
  • Debranjan Mandal and Arup K. Rath, Quantum Dots Coupled to an Oriented Two-Dimensional Crystalline Matrix for Solar Cell Application, ACS Appl. Mater. Interfaces., , (2018), DOI:10.1021/acsami.8b15469.
  • A. A. Kashale, P. K. Dwivedi, B. R. Sathe, M. V. Shelke, Jia-Yaw Chang And A. V. Ghule, Biomass-Mediated Synthesis of Cu-Doped TiO2 Nanoparticles for Improved-Performance Lithium-Ion Batteries, ACS Omega., 3, 13676 - 13684 (2018).
  • Rahul Banerjee, Himadri Sekhar Sasmal, Harshitha Barike Aiyappa, Siddheshwar N. Bhange Suvendu Karak, Arjun Halder And Sreekumar Kurungot , Superprotonic Conductivity in Flexible Porous Covalent Organic Framework Membranes, Angewandte Chemie., 20, 10894 - 10898 (2018), DOI:10.1002/ange.201804753.
  • Abdul Khayum M., Vidyanand Vijayakumar, Suvendu Karak, Sharath Kandambeth, Mohitosh Bhadra, Karthika Suresh, Nikhil Acharambath, Sreekumar Kurungot And and Rahul Banerjee, Convergent Covalent Organic Framework Thin Sheets as Flexible Supercapacitor Electrodes, ACS Appl. Mater. Interfaces., 10(33), 28139 - 28146 (2018), DOI:10.1021/acsami.8b10486.
  • Vidyanand Vijayakumar, Meena Ghosh, Arun Torris A. T., Nikhil Chandran M.K., Sanoop B Nair, Manohar V. Badiger And Sreekumar Kurungot, A water-in-acid gel polymer electrolyte realized through phosphoric acid enriched polyelectrolyte matrix towards solid-state supercapacitors, ACS Sustainable Chem. Eng., 6(10), 12630 - 12640 (2018), DOI:10.1021/ acssuschemeng.8b01175.
  • Arjun Halder, Meena Ghosh, Abdul Khayum M, Saibal Bera, Matthew Addicoat, Himadri Sekhar Sasmal, Suvendu Karak, Sreekumar Kurungot And Rahul Banerjee, Interlayer Hydrogen-Bonded Covalent Organic Frameworks as High-Performance Supercapacitors, J. Am. Chem. Soc., 140 (35), 10941 - 10945 (2018), DOI:10.1021/jacs.8b06460.
  • Ayasha Nadeema, Priyanka S Walko, R. Nandini Devi And Sreekumar Kurungot, Alkaline Water Electrolysis by NiZn-Double Hydroxide-Derived Porous Nickel Selenide-Nitrogen-Doped Graphene Composite, ACS Appl. Energy Mater., 1(10), 5500 - 5510 (2018), DOI:10.1021/acsaem.8b01081.
  • Raji Vadakkekara, Rajith K Illathvalappil And Sreekumar Kurungot, Layered TiO2 nanosheet?supported NiCo2O4 nanoparticles as an efficient bi?functional electrocatalyst for overall water splitting, ChemElectroChem., 5(24), 4000 - 4007 (2018), DOI:10.1002/celc.201801107.
  • Kottarathil Shijina, Rajith Illathvalappil, Sumitha N. S., G.S. Sailaja, Sreekumar Kurungot, Balagopal N Nair, A. Mohamed Peer, Anilkumar M Gopinathan , Takeo Yamaguchi And Hareesh Unnikrishnan Nair Saraswathy, Melamine Formaldehyde - Metal Organic Gel Interpenetrating Polymer Network Derived Intrinsic Fe-N- Doped Porous Graphitic Carbon Electrocatalysts for Oxygen Reduction Reaction, New J. Chem., 42, 8690 - 18701 (2018), DOI:10.1039/C8NJ03170C.
  • Kayaramkodath Chandran Ranjeesh, Rajith Illathvalappil, Vivek C. Wakchaure, - Goudappagouda, Sreekumar Kurungot And Sukumaran Santhosh Babu, Metalloporphyrin Two-Dimensional Polymers via Metal Catalyst-free C-C Bond Formation for Efficient Catalytic Hydrogen Evolution, ACS Appl. Energy Mater., 1(11), 6442 - 6450 (2018), DOI:10.1021/acsaem.8b01381.
  • Siddheshwar N. Bhange, Sreekuttan M Unni And Sreekumar Kurungot, Graphene with Fe and S Coordinated Active Centers: An Active Competitor for the Fe-N-C Active Centre for Oxygen Reduction Reaction in Acidic and Basic pH Conditions, ACS Appl. Energy Mater., 1(2), 368 - 376 (2018), DOI:10.1021/acsaem.7b00053.
  • Sakharam B Tayade, Satish Shantaram Bhat, Rajith Illathvalappil, Vishal Mahesh Dhavale, Vitthal A Kawade, Avinash Kumbhar, Sreekumar Kurungot And Christian Nather, Water mediated proton conductance in a hydrogen-bonded Ni(II)-Bipyridine-glycoluril chloride self-assembled framework, CrystEngComm., 20, 094 - 1100 (2018), DOI:10.1039/C7CE01814B.
  • Sandeep Sharma, Roby Soni, Sreekumar Kurungot And S. K. Asha, Naphthalene Diimide Copolymers by Direct Arylation Polycondensation as Highly Stable Supercapacitor Electrode Materials, Macromolecules., 51(3), 954 - 965 (2018), DOI:10.1021/acs.macromol.7b02425.
  • Fereshteh Chekin, Alina Vasilescu, Roxana Jijie, Santosh K. Singh, Sreekumar Kurungot, e, Madalina Iancu, Gabriela Badea, Rabah Boukherroub And Sabine Szunerits, Sensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode, Sensors and Actuators B: Chemical., 262, 180 - 187 (2018), DOI:10.1016/j.snb.2018.01.215.
  • Fereshteh Chekin, Komal Bagga, Palaniappan Subramanian, Roxana Jijie, Santosh K Singh, Sreekumar Kurungot, Rabah Boukherroub And Sabine Szunerits, Nucleic aptamer modified porous reduced graphene oxide/MoS 2 based electrodes for viral detection: Application to human papillomavirus (HPV), Sensors and Actuators B: Chemical., 262, 991 - 1000 (2018), DOI:10.1016/j.snb.2018.02.065.
  • Swechchha Pandey, K. Vipin Raj, Dinesh R. Shinde, Kumar Vanka, Varchaswal Kashyap, Sreekumar Kurungot, Chathakudath Prabhakaran Vinod And Samir H. Chikkali, Iron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process, J. Am. Chem. Soc., 140(12), 4430 - 4439 (2018), DOI:10.1021/jacs.8b01286.
  • Alina Vasilescu, Ran Ye, Samia Boulahneche, Sabrina Lamraoui, Roxana Jijie, Mohamed Salah Medjram, Szilveszter Gaspar, Santosh K Singh, Sreekumar Kurungot, Sorin Melinte, Rabah Boukherroub And Sabine Szunerits, Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation, Electrochimica Acta., 266, 364 - 372 (2018), DOI:10.1016/j.electacta.2018.02.038.
  • Bisht R, Kavungathodi M F M And Nithyanandhan J, Indenoquinaldine Based Unsymmetrical Squaraine Dyes for Near-Infrared Absorption: Investigating the Steric and Electronic Effects in Dye-Sensitized Solar Cells, Chem. Eur. J., 24, 16368 - 16378 (2018), DOI:10.1002/chem.201803062.
  • Sil M C, Sudhakar V, Singh A, Kavungathodi M F M And Nithyanandhan J, Homo- and Heterodimeric Dyes for Dye-sensitized Solar Cells: Panchromatic Light Absorption and Modulated Open Circuit Potential, ChemPlusChem., 83, 998 - 1007 (2018), DOI:10.1002/cplu.201800450.
  • Nivedita Kenge, Sameer Pitale And Kavita Joshi, The Nature of Electrophilic Oxygen : Insights from Periodic Density Functional Theory Investigations, Surface Science., , (2018), DOI:https://doi.org/10.1016/j.susc.2018.09.009.
    Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100% selectivity. A key aspect of this mechanism is an electrophilic oxygen (Oele) species forming on the Ag surface. In the past two and half decades, large number of theoretical and experimental investigations have tried to elucidate formation of Oele on Ag surface with little success. Equipped with this rich literature on Ag-O interactions, we investigate the same using periodic DFT calculations to further understand how silver surface and oxygen interact with each other from a chemical standpoint. Based on energetics, Löwdin charges, topologies and pdos data described in this study, we scrutinize the established notions of Oele. Our study provides no evidence in support of Oele being an atomic species nor a diatomic molecular species. In fact, a triatomic molecular species described in this work bears multiple signatures which are very convincing evidence for considering it as the most sought for electrophilic entity.
 
 


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