Research Group Publications

• Ananthan A, Mele Kavungathodi M F, Punitharasu V, Sil M C And Nithyanandhan J, Effect of out-of-plane alkyl group’s position in dye sensitized solar cell efficiency: A structure-property relationship utilizing indoline based unsymmetrical squaraine dyes, ACS Applied Mater. Interfaces., 8, 35353 - 35367 (2016), DOI:10.1021/acsami.6b12730.
• Rajendra Ranguwar, K G Pranav, Tripathi Shalini, Kurungot Sreekumar And Ballav Nirmalya, High-Index Faceted Gold Nanocrystals with Highly-Tunable Dimensions, Surface Plasmons and Electro-Catalytic Activity, Nanoscale., 8, 19224 - 19228 (2016), DOI:10.1039/C6NR06922C.
• Manish Kumar Mishra And Upadrasta Ramamurty and Gautam R. Desiraju, Mechanical property design of molecular solids (Review article), Curr. Opin. Solid State Mater. Sci., 20, 361 - 370 (2016).
• Devaraj Raut, MSRN Kiran, Manish Kumar Mishra, Abdullah M. Asiri And and Upadrasta Ramamurty, On the loading rate sensitivity of plastic deformation in molecular crystals, CrystEngComm., 18, 3551 - 3555 (2016).
• A Das And DE Makarov, Effect of Mutation on an Aggregation-Prone Segment of p53: From Monomer to Dimer to Multimer, The Journal of Physical Chemistry B., 120, 11665 - 11673 (2016), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b07457.
• A. Daniel, Y. Badhe, I. Srikanth, S. Gokhale And K. Balasubramanian, Laser shielding and thermal ablation characteristics of resorcinol formaldehyde / boron nitride composites for thermal protection systems, Ind. Eng. Chem. Res., 55, 10645 (2016).
• GP Nayaka, KV Pai, J Manjanna, KC Anjaneya, P Periasamy And VS Tripathi, Structural, electrical and electrochemical studies of LiNi0.4M0.1Mn1.5O4 (M = Co, Mg) solid solutions for lithium ion battery, Bulletin of Materials Science., 39(5), 1279 - 1284 (2016), DOI:[I.F. 1.8].
• GP Nayaka, KV Pai, G Santhosh And J Manjanna, Recovery of cobalt as cobalt oxalate from spent lithium ion batteries by using glycine as leaching agent, Journal of environmental chemical engineering., 4(2), 2378 - 2383 (2016), DOI:https://doi.org/10.1016/j.jece.2016.04.016 [I.F. 5.9].
• GP Nayaka, KV Pai, G Santhosh And J Manjanna, Dissolution of cathode active material of spent Li-ion batteries using tartaric acid and ascorbic acid mixture to recover Co, Hydrometallurgy., 161, 54 - 57 (2016), DOI:https://doi.org/10.1016/j.hydromet.2016.01.026 [I.F. 4.1].
• G P Nayaka, K Vr Pai, J Manjanna And S J Keny, Use of mild organic acid reagents to recover the Co and Li from spent Li-ion batteries, Waste management., 51, 234 - 238 (2016), DOI:https://doi.org/10.1016/j.wasman.2015.12.008 [I.F. 7.1].
• F Mehari, M Rohde, C Knipfer, R Kanawade, F Klämpfl, W Adler, N Oetter, F Stelzle And M Schmidt, Investigation of Laser Induced Breakdown Spectroscopy (LIBS) for the Differentiation of Nerve and Gland Tissue—A Possible Application for a Laser Surgery Feedback Control Mechanism, Plasma Science and Technology., 18, 654 (2016).
• Fanuel Mehari, Maximillian Rohde, Rajesh Kanawade, Christian Knipfer, Werner Adler, Florian Klämpfl, Florian Stelzle And Michael Schmidt, Investigation of the differentiation of ex vivo nerve and fat tissues using laser?induced breakdown spectroscopy (LIBS): Prospects for tissue?specific laser surgery, Journal of biophotonics., 9, 1021 - 1032 (2016).
• Dattatray J Late, Rajesh V Kanawade, Padmanathan Karthick Kannan And Chandra Sekhar Rout, Atomically thin WS2 nanosheets based gas sensor, Sensor Letters., 14, 1249 - 1254 (2016).
• Pradip Pachfule, Dhanraj B. Shinde, Mainak Majumder And Quing Xu, Thermal transformation of metal organic framework to graphene nanoribbons for electrochemical energy storage, Nature Chemistry., 8, 718 - 724 (2016).
• Abozar Akbari, Phillip A. Sheath, Samuel T. Martin, Dhanraj B. Shinde, Mahdokht E. Shaibani, Parama Chakraborty Banerjee, Rachel Tkacz, Dibakar Bhattacharyya And Mainak Majumder, Large-Area Graphene-based Nanofiltration Membranes by Shear Alignment of Discotic Nematic Liquid Crystals of Graphene Oxide, Nat. Commun., 7, 10891 (2016).
• Dhanraj B. Shinde, Jason Brenker, Rico Tobor, Adrain Neild And Mainak Majumder, Shear assisted electrochemical exfoliation of graphite to graphene. Langmuir, Langmuir., 32, 3552 (2016).
• S.Shalini, S.Aggarwal, S.K.Singh, M. Dutt, T.G.Ajithkumar And R.Vaidhyanathan, 10000-Fold Enhancement in Proton Conduction by Doping of Cesium Ions in a Proton-Conducting Zwitterionic Metal-Organic Framework, European Journal of Inorganic Chemistry., 27, 4382 (2016), DOI:10.1002/ejic.201600364.
• S. Shalini, V.M.Dhavale, Kavalakal Mathai Eldho, S. Kurungot, T.G. Ajithkumar And R. Vaidhyanathan, 1000-fold enhancement in proton conductivity of a MOF using post-synthetically anchored proton transporters, Scientific Reports., 6, 32489 (2016), DOI:10.1038/srep32489.
• Vijay Koshti, Shridhar Thorat And Ravindra Gote And Samir Chikkali* and Rajesh Gonnade*, The impact of modular substitution on crystal packing: the tale of two ureas, CrystEngComm., 18, 7078 - 7094 (2016), DOI:DOI: 10.1039/C6CE01324D.
• M. I. Tamboli, S. Krishanaswamy And R. G. Gonnade and M. S. Shashidhar, Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of myo-inositol-1,3,5-orthoformate-derived benzoates and carbonates, Acta Cryst. Section C., C72, 875 - 881 (2016), DOI:https://doi.org/10.1107/S205322961601603X.
• Rupesh L. Gawade, Debamitra K. Chakravarty, Amol Kotmale, Ekta Sangtani, Pranaya V. Joshi, Awais Ahmed, Manoj V. Mane, Susanta Das, Kumar Vanka, Pattuparambil R. Rajamohanan, Vedavati G. Puranik*, and Rajesh G. Gonnade* Crystal Growth & Design 2016, 16, 4 And 2416-2428 (Article), Additive Mediated Syn-Anti Conformational Tuning at Nucleation to Capture Elusive Polymorphs: Remarkable Role of Extended ?-Stacking Interactions in Driving the Self-Assembly, Crystal Growth & Design., 16, 2416 - 2428 (2016), DOI:DOI: 10.1021/acs.cgd.6b00204.
• N Singh, K Singh, A Pandey And D Kaur, Improved electrical transport properties in high quality nanocrystalline silicon carbide (nc-SiC) thin films for microelectronic applications, Materials Letters., 164, 28 - 31 (2016).
• K Singh, S Pawar And K Davinder, Reduced Substrate Clamping Effect And Evidence Of Shape Memory Behavior In Vertically Aligned Ni-Mn-In Nanorod Arrays, Applied Materials Proceedings., 2, (2016).
• Acharya N, Mishra P And Jha SK, Evidence for dry molten globule-like domains in the pH-induced equilibrium folding intermediate of a multi-domain protein, J. Phys. Chem. Lett., 7, 173 - 179 (2016).
• Mohammed Azeezulla Nazrulla And Sailaja Krishnamurty, Stretching the threshold of reversible dynamics in silicon clusters: A case of carbon alloyed Si6, The Journal of chemical physics., 145, 124306 (2016).
• Mohammed AzeezullaNazrulla, Krati Joshi, S Israel And Sailaja Krishnamurty, Structure and stability of a silicon cluster on sequential doping with carbon atoms, Physica E: Low-dimensional Systems and Nanostructures., 76, 173 - 180 (2016).
• Dar Manzoor, Sailaja Krishnamurty And Sourav Pal, Endohedrally doped gold nanocages: efficient catalysts for O 2 activation and CO oxidation, Physical Chemistry Chemical Physics., 18, 7068 - 7074 (2016).
• Krati Joshi And Sailaja Krishnamurty, Tailoring the structure and electronic properties of platinum and gold–platinum nanocatalysts towards enhanced O 2 activation, New Journal of Chemistry., 40, 1336 - 1346 (2016).
• D Kumar, S Pal And S Krishnamurty, N 2 activation on Al metal clusters: catalyzing role of BN-doped graphene support, Physical Chemistry Chemical Physics., 18, 27721 - 27727 (2016).
• Dar Manzoor, Sailaja Krishnamurty And Sourav Pal, Contriving a Catalytically Active Structure from an Inert Conformation: A Density Functional Investigation of Al, Hf, and Ge Doping of Au20 Tetrahedral Clusters, The Journal of Physical Chemistry C., 120, 19636 - 19641 (2016).
• Shyamapada Nandi, Santosh Kumar Singh, Dinesh Mullangi, Rajith Illathvalappil, Leena George, Chathakudath P. Vinod, Sreekumar Kurungot And Ramanathan Vaidhyanathan, Low Band Gap Benzimidazole COF Supported Ni3N as Highly Active OER Catalyst, Advanced Energy Materials., 6(24), 1601189 (2016), DOI:10.1002/aenm.201601189.
• Minju Thomas, Rajith Illathvalappil, Sreekumar Kurungot, Balagopal N Nair, Abdul Azeez Peer Mohamed, Gopinathan M. Anilkumar, Takeo Yamaguchi And U. S. Hareesh, Graphene Oxide Sheathed ZIF-8 Microcrystals: Engineered Precursors of Nitrogen-doped Porous Carbon for Efficient Oxygen Reduction Reaction (ORR) Electrocatalysis, ACS Appl. Mater. Interfaces., 8 (43), 29373 - 29382 (2016), DOI:10.1021/acsami.6b06979.
• Fereshteh Chekin, Santosh K. Singh, Alina Mihaela Vasilescu, Vishal M. Dhavale, Sreekumar Kurungot, Rabah Boukherroub And and Sabine Szunerits, Reduced Graphene Oxide Modified Electrodes For Sensitive Sensing of Gliadin in Food Samples, ACS Sensors., 1 (12), pp 1462 - 1470 (2016), DOI:10.1021/acssensors.6b00608.
• Singh Y, Raj A M, Kiran B M, Nithyanandhan J, Ramamurthy V, Jayaraman And N, A dendrimer facilitates resonance energy transfer between hydrophobic aromatic guest molecules in water, J. Photochem. Photobiol A Chem., 317, 125 - 131 (2016).
• Karjule N, Mele Kavungathodi M F And Nithyanandhan J, Heterotriangulene-based unsymmetrical squaraine dyes: synergistic effects of donor moieties and outof-plane branched alkyl chains on dye cell performance, J. Mater. Chem. A., 4, 18910 - 18921 (2016), DOI:10.1039/C6TA08651A.
  (Selected for themed collection of 2016 Journal of Materials Chemistry A HOT Papers)
• Vijay Beniwal And Anil Kumar , Understanding positive and negative deviations in polarity of ionic liquid mixtures by pseudo-solvent approach, Phys. Chem. Chem. Phys., 18, 23853 - 23863 (2016).
• Somnath M. Kashid, Pranab Deb, Tapas Haldar And Sayan Bagchi*, Stretching IR spectroscopy to an extra dimension enables experimental visualization of ultrafast chemical exchange processes, International Conference on Fibre Optics and Photonics 2016., paper Th2A.3, (2016), DOI:Optical Society of America.
• P. N. Anantharamaiah And P. A. Joy, Enhancing the strain sensitivity of CoFe2O4 at low magnetic fields without affecting the magnetostriction coefficient by substitution of small amounts of Mg for Fe, Physical Chemistry Chemical Physics., 18, 10516 - 10527 (2016), DOI:10.1039/c6cp00369a.
• R. Lenin And P. A. Joy, Role of Primary and Secondary Surfactant Layers on the Thermal Conductivity of Lauric Acid Coated Magnetite Nanofluids, Journal of Physical Chemistry C., 120, 11640 - 11651 (2016), DOI:10.1021/acs.jpcc.5b12476.
• Vedi Kuyil Azhagan Muniraj, Chaitanya Krishna Kamaja And Manjusha V. Shelke*, RuO2·nH2O Nanoparticles Anchored on Carbon Nano-onions: An Efficient Electrode for Solid State Flexible Electrochemical Supercapacitor, ACS Sustainable Chemistry & Engineering., 4, 2528 - 2534 (2016).
• Chaitanya Krishna Kamaja, Rami Reddy Devarapalli, Yasha Dave, Joyashish Debgupta And Manjusha V. Shelke*, Synthesis of novel Cu2S nanohusks as high performance counter electrode for CdS/CdSe sensitized solar cell, Journal of Power Sources., 315, 277 - 283 (2016).
• Indrapal Karbhal, Rami Reddy Devarapalli, Joyashish Debgupta, V. K. Pillai, Pulickel M. Ajayan And Manjusha V. Shelke*, Facile Green Synthesis of BCN Nanosheets as High-Performance Electrode Material for Electrochemical Energy Storage, Chemistry A European Journal., 22, 7134 - 7140 (2016).
• Anukul K. Thakur, R B Choudhary, Mandira Majumder, Govind Gupta And Manjusha V. Shelke, Enhanced electrochemical performance of polypyrrole coated MoS2 nanocomposites as electrode material for supercapacitor application, Journal of Electroanalytical Chemistry., 782, 278 - 287 (2016).
• Rami Reddy Devarapalli, Sabine Szunerits, Yannick Coffinier, Manjusha V. Shelke And Rabah Boukherroub , Glucose Derived Porous Carbon Coated Silicon Nanowires as Efficient Electrodes for Aqueous Micro-Supercapacitors, ACS Applied Materials & Interfaces., 8, 4298 - 4302 (2016).
• Yogesh Gawli, Abhik Banerjee, Dipti Dhakras, Meenal Deo, Dinesh Bulani, Prakash Wadgaonkar, Manjusha Shelke And S. Ogale , 3D Polyaniline Architecture by Concurrent Inorganic and Organic Acid Doping for Superior and Robust High Rate Supercapacitor Performance, Scientific Reports., 6, 21002 (2016).
• Satish S Badadhe, Sachin R Suryawanshi, Rounak A Naphade, Minakshi V Chaudhary, Mahendra A More, Manjusha V Shelke And S.B. Ogale , Synthesis, microstructure, optical and field emission studies of iron vanadium oxide nanosheets, Journal of Physics D: Applied Physics., 49, 49 145301 (2016).
• Sudip Sasmal, Kaushik Talukdar, Malaya Nayak, Nayana Vaval And Sourav Pal, Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework, Journal of Chemical Sciences., 128, 1671 - 1675 (2016).
• Tumpa Sadhukhan, Bipasa Samanta, Shaz Ali And Sourav Pal , Theoretical Study of C-X [X = Cl, Br] Bond Activation on Aluminum Nanocluster, Theoretical Chemistry Accounts., 135, 234 (2016).
• Manzoor Dar, Sailaja Krishnamurty And Sourav Pal, Contriving a Catalytically Active Structure From an Inert Conformation: A Density Functional Investigation of Al, Hf and Ge Doping on Au20 Tetrahedral Cluster, J. Phys Chem C., 120, 19636 - 19641 (2016).
• Vidhika Sharma, Mohit Prasad, S. Jadkar And Sourav Pal, Influence of carbon and phosphorus doping on electronic properties of ZnO, Journal of Materials Science: Materials in Electronics., , (2016).
  (In Press)
• Santosh K. Singh, Deepak Kumar, Vishal M. Dhavale, Sourav Pal And Sreekumar Kurungot, Strategic Preparation of Efficient and Durable NiCo-alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation, Advanced Materials Interfaces., , (2016).
  (In Press)
• Deepak Kumar, Sourav Pal And Sailaja Krishnamurty, N2 Activation on Al Metal Clusters: Catalyzing role of BN-doped Graphene Support, Physical Chemistry Chemical Physics., 18, 27721 - 27727 (2016).
• Sudip Sasmal, Himadri Pathak, Malaya Nayak, Nayana Vaval And Sourav Pal, Relativistic coupled-cluster study of RaF as a candidate for parity and time reversal violating interaction, Phys. Rev. A., 93, 062506 (2016).
• Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential, J. Chem. Phys., 145, 074110 (2016).
• P. Gurunathan, A. Acharya, D. Ghosh, D. Kosenkov, I. Kaliman, Y. Shao, A. I. Krylov And L. V. Slipchenko, The Extension of the Effective Fragment Potential Method to Macromolecules, J. Phys. Chem. B., 120(27), 6562 - 6574 (2016).
• B. Busupalli, S. Battu, S. K. Haram And B. L. V. Prasad, In situ Electrochemical Transformation of Ni?S? and Ni?S?-Ni from Sheets to Nanodisks: Towards Efficient Electrocatalysis for Hydrogen Evolution Reaction (HER), Chemistry Select., 1, 6708 - 6712 (2016).
• S. K. Kumar, G. Kumaraswamy, B.L.V. Prasad, R. Bandyopadhyaya, S. Granick, O. Gang, V. N. Manoharan And D. Frenkel and N. Kotov, Nanoparticle Assembly: A Perspective and Some Unanswered Questions, Curr. Sci., , (2016).
• Asis K. Jana, Kedar B. Batkulwar, Mahesh J. Kulkarni* And Neelanjana Sengupta*, Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights, Phys. Chem. Chem. Phys., , (2016), DOI:10.1039/C6CP05041G.
• Kedar B. Batkulwar, Asis K. Jana, Rashmi K. Godbole, Puneet Khandelwal, Neelanjana Sengupta And Mahesh J. Kulkarni* , Hydralazine inhibits Amyloid beta (A?) aggregation, glycation and ameliorates A?1-42 induced neurotoxicity, RSC Advances., , (2016), DOI:10.1039/C6RA20225J.
• T. Palaniselvam, V. Kashyap, S. N. Bhange J. B. Baek And S. Kurungot, Nanoporous graphene enriched with Fe/Co-N active sites as a promising oxygen reduction electrocatalyst for anion exchange membrane fuel cells, Advanced Functional Materials., 13, 2150 - 2162 (2016), DOI:10.1002/adfm.201504765.
• Varchaswal Kashyap, Santosh K. Singh And Sreekumar Kurungot, Cobalt Ferrite bearing Nitrogen Doped Reduced Graphene Oxide Layers Spatially Separated with Microporous Carbon as Efficient Oxygen Reduction Electrocatalyst, ACS Appl. Mater. Interfaces., 8(32), 20730 - 20740 (2016), DOI:10.1021/acsami.6b05416.
• Harshitha Barike Aiyappa, Jayshri Thote, Digambar Balaji Shinde, Rahul Banerjee And Sreekumar Kurungot, Cobalt modified Covalent Organic Framework as a robust water oxidation electrocatalyst, Chem. Mater., 28(12), 4375 - 4379 (2016), DOI:10.1021/acs.chemmater.6b01370.
• Manik Bhosale, Rajith Illathvalappil, Sreekumar Kurungot And Kothandam Krishnamoorthy , Conjugated porous polymer as precursor for electrocatalyst and storage electrode material, Chem. Commun., 52(2), 316 - 318 (2016), DOI:DOI:10.1039/C5CC08148C.
• Digambar Balaji Shinde, Harshitha Barike Aiyappa, Mohitosh BhadraBishnu P. Biswal, Pritish Wadge, Sharath Kandambeth, Bikash Garai, Tanay Kundu, Sreekumar Kurungot And Rahul Banerjee, A Mechanochemically Synthesized Covalent Organic Framework as Proton-conducting Solid Electrolyte, J. Mater. Chem. A., 4, 2682 - 2690 (2016), DOI:10.1039/C5TA10521H.
• Barun Dhara, Subrahmanyam Sappati, Santosh K Singh, Sreekumar Kurungot, Prasenjit Ghosh And Nirmalya Ballav, Coordination Polymers of Fe(III) and Al(III) Ions with TCA Ligand: Distinctive Fluorescence, CO2 Uptake, Redox-Activity and Oxygen Evolution Reaction, Dalton Transactions., 45(16), 6901 - 6908 (2016), DOI:10.1039/C6DT00009F.
• Siddheshwar N Bhange, Sreekuttan Maraveedu Unni And Sreekumar Kurungot , Nitrogen and Sulphur Co-doped Crumbled Graphene for Oxygen Reduction Reaction with Improved Activity and Stability in Acidic Medium, Journal of Materials Chemistry A., 6(14), 6014 - 6020 (2016), DOI:10.1039/C6TA00073H.
• Sukhendu Mandal, Debraj Sarkar, Purnachandra Rao, Harshitha Barike Aiyappa, Sreekumar Kurungot, Sudip Mandal And Kothandaraman Ramanujam , Multifunctional Copper Dimer: Structure, Band Gap Energy, Catalysis, Magnetism, Oxygen Reduction Reaction and Proton Conductivity, RSC Advances., 6(44), 37515 - 37521 (2016), DOI:10.1039/C6RA05961A.
• Sanjog S. Nagarkar, Bihag Anothumakkool, Aamod V. Desai, Mandar M Shirolkar, Sreekumar Kurungot And Sujit K. Ghosh, High Hydroxide Conductivity in a Chemically Stable Crystalline Metal-Organic Framework Containing Water-Hydroxide Supramolecular Chain, Chem. Commun., 52, 8459 - 8462 (2016), DOI:10.1039/C6CC04436K.
• Leena K George , Athira K Kunhikannan , Rajith Illathvalappil , Divya Ottoor , Chithra H Manikandan , Sreekumar Kurungot And R. Nandini Devi, Understanding electron transfer process in ZnO-naphthol azobenzoic acid composites from photophysical characterisations, Phys. Chem. Chem. Phys., 18(32), 22179 - 22187 (2016), DOI:10.1039/C6CP02908F.
• Sreekuttan Maraveedu Unni, Leena K George, Siddheshwar N Bhange, R. Nandini Devi And Sreekumar Kurungot , Valorization of Coffee Bean Waste: Coffee Bean Waste Derived Multifunctional Catalyst for Photocatalytic Hydrogen Production and Electrocatalytic Oxygen Reduction Reactions, RSC Advances., 6(85), 82103 - 82111 (2016), DOI:10.1039/C6RA14907C.
• Sorout Shalini, Vishal M. Dhavale, Kavalakal M. Eldho, Sreekumar Kurungot, Thallaseril G.Ajithkumar And Ramanathan Vaidhyanathan, 1000-fold enhancement in proton conductivity of a MOF using postsynthetically anchored proton transporters, Scientific Reports., 6, 32489 (2016), DOI:10.1038/srep32489.
• Seema Dharni, Sanchita, Sreekuttan M Unni, Sreekumar Kurungot, Abdul Samad, Ashok Sharma And Dharani Dhar Patra, In vitro and in silico antifungal efficacy of nitrogen doped carbon nanohorn (NCNH) against Rhizoctonia solani, Journal of Biomolecular Structure & Dynamics., 34(1), 152 - 161 (2016), DOI:10.1080/07391102.2015.1018841.
• Bihag Anothumakkool, Arun Torris A. T., Sajna Veeliyath, Vidyanand Vijayakumar, Manohar Virupax Badiger And Sreekumar Kurungot, High performance flexible solid-state supercapacitor with extended nano regime interface through in situ polymer electrolyte generation, ACS Appl. Mater. Interfaces., 8 (2), 1233 - 1241 (2016), DOI:10.1021/acsami.5b09677.
• Plawan Kumar Jha, Santosh K. Singh, Suresh Gatla, Sreekumar Kurungot And Nirmalya Ballav, Pb2+?N Bonding Chemistry: Recycling of Polyaniline-Pb Nanocrystals Waste for Generating High-Performance Super-Capacitor Electrodes, J. Phys. Chem. C., 120(2), 911 - 918 (2016), DOI:10.1021/acs.jpcc.5b11217.
• Pandiaraj Sekar, Bihag Anothumakkoola, Vidyanand Vijayakumar, Apurva Lohgaonkar And Sreekumar Kurungot, Unravelling the mechanism of electrochemical degradation of PANI in supercapacitors: Achieving a feasible solution, ChemElectroChem., 3(6), 933 - 942 (2016), DOI:10.1002/celc.201500502.
• Dinesh Mullangi, Vishal Dhavale, Sorout Shalini, Shyamapada Nandi, Sean Collins, c Tom Woo*, Sreekumar Kurungot* And Ramanathan Vaidhyanathana* , Low overpotential electrocatalytic water splitting with noble metal-free nanoparticles supported in a sp3 N-rich flexible COF, Advanced Energy Materials., 6(13), (2016), DOI:10.1002/aenm.201600110.
• Roby Soni, Bihag Anothumakkool And Sreekumar Kurungot, 1-Dimensional Alignment of PEDOT on the CNT Framework in a Buckypaper Mediated by Interfacial Polymerization for High Performance Solid Supercapacitor, ChemElectroChem., 3(9), 1329 - 1336 (2016), DOI:10.1002/celc.201600229.
• A. Karmakar, R. Illathvalappil, B. Anothumakkool, A. Sen, P. Samanta, A. V. Desai, S. Kurungot And S. K. Ghosh, Hydrogen-Bonded Organic Frameworks: A New Class of Porous Crystalline Proton Conducting Materials, Angew. Chem. Int. Ed., 128(36), 10825 - 10829 (2016), DOI:10.1002/ange.201604534.
• Santosh K. Singh, Deepak Kumar, Vishal M. Dhavale, Sourav Pal And Sreekumar Kurungot, Strategic Preparation of Efficient and Durable NiCo-alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation, Advanced Materials Interfaces., 3(20), (2016), DOI:10.1002/admi.201600532.
• Prabir Khatura, Jaya C. Jose, Neelanjana Sengupta And Sanjoy Bandyopadhyay*, Conformational features of the A?42 peptide monomer and its interaction with the surrounding solvent, Phys. Chem. Chem. Phys., , (2016), DOI:10.1039/C6CP04925G.
• Lakshmi Madhuri. P, Krishna Prasad. S, P. Shinde And B.L.V Prasad, Large reduction in the magnitude and thermal variation of Frank elastic constants in a gold nanorod/nematic composite, Journal of Physics D: Applied Physics., 49 (42), 425304 (2016), DOI:10.1088/0022-3727/49/42/425304.
• S. Gupta, V. K. Jain And D. Jagadeesan*, Fine tuning the composition and nanostructure of Fe-based core-shell nanocatalyst for efficient CO2 hydrogenation, ChemNanoMat., 2, 989 - 996 (2016), DOI:10.1002/cnma.201600234.
• D Sengupta, M Joshi, CA Athale And A Chattopadhyay, What Can Simulations Tell Us About GPCRs: Integrating the Scales, Met. Cell Biol., 132, 429 - 452 (2016).
• X Prasanna, M. Jafurulla, D Sengupta And A Chattopadhyay, The Ganglioside GM1 Interacts with the Serotonin1A Receptor via the Sphingolipid Binding Domain, BBA – Biomembranes, Biochim. Biophys. Acta (Biomembranes)., 1858, 2818 - 2826 (2016).
• A Chaudhuri, X Prasanna, P Agiru, H Chakraborty, A Rydström, JCS Ho, C Svanborg, D Sengupta And A Chattopadhyay, Protein-dependent Membrane Interaction of A Partially Disordered Protein Complex with Oleic Acid: Implications for Cancer Lipidomics, Sci. Rep., 6, (2016).
• A Tandale, M Joshi And D Sengupta, Structural insights and functional implications of inter-indi­­­vidual variability in Beta2-adrenergic receptor, Sci. Rep., 6, 24379 (2016).
• X Prasanna, D Sengupta And A Chattopadhyay, Cholesterol-dependent conformational plasticity in GPCR dimers, Sci. Rep., 6, 31858 (2016).
• G. Jaiswal, V. Landge, D. Jagadeesan* And E. Balaraman*, Sustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines, Green Chemistry., 18, 3232 - 3238 (2016), DOI:10.1039/C6GC00565A (Highlighted in CHemInform - Ketone Derivatives, 2016 DOI: 10.1002/chin.201642163).
• D. Jagadeesan*, Multifunctional nanocatalysts for tandem reactions: A leap toward sustainability, Applied Catalysis A: General., 511, 59 - 77 (2016), DOI:10.1016/j.apcata.2015.11.033 (Highlighted in CHemInform - Applied Chemistry, 2016 DOI: 10.100//chin.201612296).
• S. Venkatesh, D. Vernekar, G. Jaiswal, D. Jagadeesan* And R. Sai Sathish*, Earth Abundant Iron-rich N-doped Graphene Based Spacer and Cavity Materials for Surface Plasmon-Coupled Emission Enhancements, ACS Applied Materials & Interfaces., 8, 12324 - 12329 (2016), DOI:10.1021/acsami.5b12038.
• Amit Sureshrao Nagare, Arpan Manna And Anil Kumar, Can a Diels-Alder Reaction Accelerate in a Supersaturated Solvent at Room Temperature?, New J. Chem., , (2016), DOI:10.1039/C6NJ01912A.
• Turbasu Sengupta And Sourav Pal, Radical attached aluminum nanoclusters: an alternative way of cluster stabilization, Physical Chemistry Chemical Physics., 18, 21746 - 21759 (2016).
• Achintya Dutta, Nayana Vaval And Sourav Pal, Assessment of low scaling approximations to EOM-CCSD method for ionization potential, To be communicated., , (2016).
• Madhulita Das, B. K. Sahoo And Sourav Pal, Plasma-screening effects on the electronic structure of multiply charged Al ions using Debye and ionsphere models, Phys. Rev. A., 93, 052513 (2016).
• Susanta Das, Sailaja Krishnamurty And Sourav Pal, Melting and Catalytic Behavior of Aluminum Nano–Clusters by Successive Substitution of Gallium Impurities, Submitted to J Phys Chem., , (2016).
• Turbasu Sengupta, Susanta Das And Sourav Pal, Transition Metal Doped Aluminum Clusters: An Account of Spin, submitted to J. Phys. Chem C., 120 (18), 10027 - 10040 (2016).
• Mudit Dixit, Dan Thomas Major And Sourav Pal, Hydrogen adsorption in ZIF-7: A DFT and ab initio molecular dynamics study, Chemical Physics Letters., 651, 178 - 182 (2016).
• D. Prabhu, N. Parekh, T. V. K. Reddy, G. S. Rani, B. L. A. Prabhavathi Devi And B. L. V. Prasad, Self- Assembly of Isomannide-based Monoesters of C18-Fatty Acids and their Cellular Uptake Studies, RSC Adv., 6, 72074 - 72079 (2016).
• Gitanjali Rai, Preeti Jain And Anil Kumar, Isothermal Titration Calorimetric Study of the Ionic Liquid Solutions in Alcohols in Extreme Dilutions: An Investigation of Ion-Solvent Interactions, J Solution Chem., , (2016).
• J. Seth And B. L. V. Prasad, Bromide ion mediated modification to digestive ripening process: Preparation of ultra-small Pd, Pt, Rh and Ru nanoparticles, Nano Res., 9, 2007 - 2017 (2016).
• R. Jadhav, S. Bhide, B. L. V. Prasad, B. Kunchiraman, J. Shimpi And U. Nandhini, Silver Nanoparticles: A New Perspective in Endodontic therapy, The IIOAB Journal., 7, 77 - 81 (2016).
• S. G. Surya, A. Narayana, S. Mishra, A. R. B. Karthik, A. B. Sastry, B. L. V. Prasad, D. Rangappa And V. Ramgopal Rao, H2S detection using low-cost SnO2 Nano-particle Bi-layer OFETs, Sens. Actuators, B., 235, 378 - 385 (2016).
• A. Ghodbane, W. B. Fellows, J. R. Bright, D. Ghosh, N. Saffon, L. M. Tolbert, S. Fery-Forgues And K. M. Solntsev, Effects of the Benzoxazole Group on Green Fluorescent Protein Chromophore Crystal Structure and Solid State Photophysics, J. Materials Chem. C., 4, 2793 - 2801 (2016).
  Selected as : J Materials Chem C Hot papers
• S. Bose, S. Chakrabarty And D. Ghosh*, Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant, J. Phys. Chem. B., 120, 4410 - 4420 (2016), DOI:10.1021/acs.jpcb.6b03723.
• Tapas Haldar, Somnath M Kashid, Pranab Deb, Sandeep Kesh And Sayan Bagchi*, Pick and Choose the Spectroscopic Method to Calibrate the Local Electric Field inside Proteins, J. Phys. Chem. Lett., 7, 2456 - 2460 (2016).
• Pranab Deb, Tapas Haldar, Somnath M Kashid, Subhrashis Banerjee, Suman Chakrabarty* And and Sayan Bagchi*, Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins, J. Phys. Chem. B., 120, 4034 - 4046 (2016).
• Tapas Haldar And Sayan Bagchi*, Electrostatic Interactions Are Key to C=O n-pi* Shifts: An Experimental Proof, J. Phys. Chem. Lett., 7, 2270 - 2275 (2016).
• S Shenoy, U Gupta, DS Narang, DJ Late, UV Waghmare And CNR Rao, Electronic structure and properties of layered GaTe, Chemical Physics Letters., 651, 148 - 164 (2016).
• AS Pawbake, MS Pawar, SR Jadkar And DJ Late, Large area chemical vapor deposition of monolayer transition metal dichalcogenides and their temperature dependent Raman spectroscopy studies, Nanoscale., 8 (5), 3008 - 3018 (2016).
• BK Gupta, G Kedawat, P Kumar, S Singh, SR Suryawanshi And N Agrawal, Field emission properties of highly ordered low-aspect ratio carbon nanocup arrays, RSC Advances., 6 (12), 9932 - 9939 (2016).
• CNR Rao, KS Subrahmanyam, HSSR Matte And B Abdulhakeem, A study of the synthetic methods and properties of graphenes, Science and Technology of Advanced Materials., , (2016).
• AS Pawbake, R Waykar, DJ Late And SR Jadkar, Highly Transparent Wafer Scale Synthesis of Crystalline WS2 Nanoparticle Thin Film for Photodetector and Humidity Sensing Applications, ACS Applied Materials & Interfaces., 8 (5), 3359 - 3365 (2016).
• P Borade, KU Joshi, A Gokarna, G Lerondel, P Walke And D Late, Synthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique, Materials Chemistry and Physics., 169, 152 - 157 (2016).
• SR Suryawanshi, SN Guin, V Kashid, MA More, DJ Late And K Biswas, Low frequency noise and photosensitive field emission from ultrathin PbBi2Se4 nanosheets, Journal of Materials Chemistry., C 4 (5), 1096 - 1103 (2016).
• RP Panmand, YA Sethi, RS Deokar, DJ Late, HM Gholap, B J And BB Kale, In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application, RSC Advances., 6 (28), 23508 - 23517 (2016).
• SR Suryawanshi, AS Pawbake, MS Pawar, SR Jadkar, MA More And DJ Late, Enhanced field emission behavior of layered MoSe2, Materials Research Express., , (2016).
• KK Naik, RT Khare, MA More, DJ Late And CS Rout, Glucose sensing and low-threshold field emission from MnCo2O4 nanosheets, RSC Advances., 6 (35), 29734 - 29740 (2016).
• PS More, DJ Late And SB Kondawar, Classification and study of near-surface region of active material for gas detection using x-ray photoelectron spectroscopy, Advanced Materials Letters., 7 (4), 330 - 336 (2016).
• VS Bagal, GP Patil, AB Deore, SR Suryawanshi, DJ Late And MA More, Surface modification of aligned CdO nanosheets and their enhanced field emission properties, RSC Advances., , (2016).
• SR Suryawanshi, MA More And DJ Late, Exfoliated 2D black phosphorus nanosheets: Field emission studies, J. Vac. Sci. Technology., B 34 (4), (2016).
• MB Erande, M Pawar And DJ Late, Humidity Sensing and Photodetection Behavior of Electrochemically Exfoliated Atomically Thin-Layered Black Phosphorus Nanosheets, ACS Applied Materials & Interfaces., 8 (18), 11548 - 11556 (2016).
• DJ Late , Liquid Exfoliation of Black Phosphorus Nanosheets and its Application as Humidity Sensor, Microporous and Mesoporous Materials., 225, 494 - 503 (2016).
• SR Kadam, SR Suryawanshi, RP Panmanda And VR Mate, Architecture of 2D MoS2 nanosheets and 3D CdMoS4 marigold flowers: Consequence of annealing on field emission performance, Microporous and Mesoporous Materials., 225, 573 - 579 (2016).
• GP Patil, VS Bagal, SR Suryawanshi, DJ Late, MA More And PG Chavan, Observation of enhanced field emission properties of Au/TiO2 nanocomposite, Applied Physics., 122 (5), 1 - 11 (2016).
• UV Patil, A Pawbake, LGB Machuno, RV Gelamo, SR Jadkar And CS Rout, Effect of Plasma treatment on multilayer Graphene: X-Ray Photoelectron Spectroscopy, Surface morphology investigations and work function measurements, RSC Advances., 6, 48843 - 48850 (2016).
• GP Patil, AB Deore, VS Bagal, DJ Late, MA More And PG Chavan, Low turn-on field and high field emission current density from Ag/TiO 2 nanocomposite, Chemical Physics Letters., , (2016).
• P. R. Pandey, D. Prabhu, B. L. V. Prasad And S. Roy, Structural Insight into Self Assembly of Sophorolipids: A Molecular Dynamics Simulation Study, Zeitschrift für Physikalische Chemie., 230, 819 - 836 (2016).
• Debayan Chakraborty, Neelanjana Sengupta And David J. Wales*, Conformational Energy Landscape of the Ritonavir Molecule, J. Phys. Chem. B., , (2016), DOI:10.1021/acs.jpcb.5b12272.
• Tobias Feldner, Marleen Häring, Subhadeep Saha, Jordi Esquena, Rahul Banerjee And David Diaz Diaz, Supramolecular Metallogel that Impart Self-Healing Properties to Other Gel Networks, Chem. Mater., , (2016), DOI:10.1021/acs.chemmater.6b01144.
• Vijay Beniwal, Arpan Manna And Anil Kumar, Spectacular Rate Enhancement of the Diels–Alder Reaction at the Ionic Liquid/n-Hexane Interface, ChemPhysChem., 17, 1 (2016).
• Sachin Thawarkar, Nageshwar D. Khupse And Anil Kumar, Comparative Investigation of the Ionicity of Aprotic and Protic Ionic Liquids in Molecular Solvents by using Conductometry and NMR Spectroscopy, ChemPhysChem., 17, 1006 (2016).
• Preeti Jain And Anil Kumar , Concentration-dependent apparent partition coefficients of ionic liquids possessing ethyl- and bi-sulphate anions, Phys Chem Chem Phys., 18, 1105 (2016).
• H Pathak, S Sasmal, MK Nayak, N Vaval And S Pal, Relativistic equation-of motion coupled-cluster method for the electron attachment problem, Comput & Theor Chemistry., 1076, 94 - 100 (2016).
• Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval And and Sourav Pal, Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study, J. Chem. Phys., 144, 124307 (2016).
• Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study, J. Chem. Phys., 144, 124307 (2016).
• Susanta Das, Turbasu Sengupta, Achintya Dutta And Sourav Pal, Electron Detachment and Subsequent Structural Changes of Water Clusters, J. Phys. Chem. A., 120, 1065 - 1073 (2016).
• Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Relativistic equation-of-motion coupled-cluster method for the electron attachment problem, Computational and Theoretical Chemistry., 1076, 94 - 100 (2016).
• Dar Manzoor, Sailaja Krishnamurty And Sourav Pal, Endohedrally Doped Gold Nanocages: Efficient Catalysts for O2 Activation and CO Oxidation, Phys. Chem. Chem. Phys., 18, 7068 (2016), DOI:10.1039/C5CP05624A.
• Bihag Anothumakkool, Ishita Agrawal, Siddheshwar N. Bhange, Roby Soni, Onkar S. Game, Satishchandra B. Ogale And Sreekumar Kurungot, Pt- and TCO-free flexible cathode for DSSC from highly conducting and flexible PEDOT paper prepared via in-situ interfacial polymerization, ACS Appl. Mater. Interfaces., 8(1), 553 - 562 (2016), DOI:10.1021/acsami.5b09579.
• Bikash Garai, Arijit Mallick And Rahul Banerjee, Photochromic Metal-Organic Frameworks for Inkless and Erasable Printing, Chem. Sci., 7, 2195 - 2200 (2016), DOI:10.1039/C5SC04450B.
• Shouvik Mitra, Sharath Kandambeth, Bishnu P. Biswal, Abdul Khayum M., Chandan Kumar Choudhury, Mihir Mehta, Gagandeep Kaur, Subhrashis Banerjee, Asmita A. Prabhune, Sandeep Verma, Sudip Roy, Ulhas K. Kharul And Rahul Banerjee, Self-Exfoliated Guanidniium-Based Ionic Covalent Organic Nanosheets (iCONs), J. Am. Chem. Soc., 138, 2823 - 2828 (2016), DOI:10.1021/jacs.5b13533.
  Highlighted in C&EN News Selected for Spotlights on Recent JACS Publications
• Suman Chandra, Tanay Kundu, Kaushik Dey, Matthew Addicoat, Thomas Heine And Rahul Banerjee, Interplaying Intrinsic and Extrinsic Proton Conductivities in Covalent Organic Frameworks, Chem. Mater., 28, 1489 - 1494 (2016), DOI:10.1021/acs.chemmater.5b04947.
  Most Read Article for February, 2016
• R. Chakraborty And D. Ghosh*, Effect of sequence on the ionization of guanine in DNA, Phys. Chem. Chem. Phys., 18, 6526 - 6533 (2016), DOI:10.1039/C5CP07804K.
• Purna K. Boruah, Priyakshree Borthakur, Gitashree Darabdhara, Chaitanya K. Kamaja, Indrapal Karbhal, Manjusha V. Shelke, Pallabi Phukan And Dulen Saikia and Manash R. Das , Sunlight assisted degradation of dye molecules and reduction of toxic Cr(VI) in aqueous medium using magnetically recoverable Fe3O4/reduced graphene oxide nanocomposite, RSC Advances., 6, 11049 - 11063 (2016).
• Arjun Halder, Sharath Kandambeth, Bishnu P. Biswal, Gagandeep Kaur, Neha Chaki Roy, Matthew Addicoat, Jagadish K. Salunke, Subhrashis Banerjee, Kumar Vanka, Thomas Heine, Sandeep Verma And Rahul Banerjee, Decoding the Morphological Diversity in Two Dimensional Crystalline Porous Polymers by Core Planarity Modulation, Angew. Chem. Int. Ed., , (2016).
• Digambar Balaji Shinde, Harshitha Barike Aiyappa, Mohitosh Bhadra, Bishnu P. Biswal, Pritish Wadge, Sharath Kandambeth, Bikash Garai, Tanay Kundu, Sreekumar Kurungot And Rahul Banerjee, Mechanochemically Synthesized Covalent Organic Framework as Proton-conducting Solid Electrolyte, J. Mater Chem. A., 4, 2682 - 2690 (2016), DOI:10.1039/C5TA10521H.
• Bishnu P. Biswal, Harshal D. Chaudhari, Rahul Banerjee And Ulhas K. Kharul, Chemically Stable Covalent Organic Framework (COF)-Polybenzimidazole Hybrid Membranes: Enhanced Gas Separation through Pore Modulation, Chem. Eur. J., , (2016), DOI:10.1002/chem.20150483.
• Asis K. Jana, Mrityunjay Tiwari, Kumar Vanka And Neelanjana Sengupta*, Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures, Phys. Chem. Chem. Phys., 18, 5910 - 5924 (2016), DOI:10.1039/C5CP04675K.
  (Highlighted as inside front cover; image prepared by Turbasu Sengupta) pdf
• R. Bakthavatsalam, S. Ghosh, R. K. Biswas, A. Saxena, A. Raja, M. O. Thotiyl, S. Wadhai, A. G. Banpurkar And J. Kundu*, Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces, RSC Advances., 6, 8416 - 8430 (2016), DOI:10.1039/c5ra22683j.
• Prathit Chatterjee And Neelanjana Sengupta*, Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study, Molecular BioSystems., , (2016), DOI:10.1039/C6MB00017G.