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Umesh V. WaghmareSrikanth SastrySwapan PatiShobhana NarasimhanVidhyadhiraja N. S.
K. B. SinhaKavita JainSubir K. Das


  1. Van Dong Pham, Sukanya Ghosh, F Joucken, M Pelaez-Fernandez, V. Repain, C. Chacon, A. Bellec, Y. Girard, R. Sporken, S. Rousset, Y. J. Dappe, Shobhana Narasimhan and Jerome Lagoute, Selective Control of molecule charge state on graphene using tip-induced electric field and nitrogen doping, npj 2D Materials (2018). In Press.

  2. Nisha Mammen, L Spanu, E C Tyo, B Yang, A Halder, S Seifert, M J Pellin, S Vajda and Shobhana Narasimhan, Using First Principles Calculations to Interpret XANES Experiments: Extracting the Size Dependence of the (p,T) Phase Diagram of Sub-nanometer Cu Clusters in an O2 Environment, J Phys Cond Matt (2018). In Press.

  3. Suman Kuila, K. Venkata Rao, Swadhin Garain, Pralok K Samanta, Shubhajit Das, Swapan K Pati, Muthusamy Eswaramoorthy and Subi J. George, Aqueous Phase Phosphorescence: Ambient Triplet Harvesting of Purely Organic Phosphors via Supramolecular Scaffolding, Angew. Chem. Int. Ed (2018). In Press.

  4. Neha Bothra, Sandhya Rai and Swapan K Pati, Tailoring Ca2Mn2O5 Based Perovskites for Improved Oxygen Evolution Reaction, ACS Appl. Energy Mater. (2018). In Press.

  5. Nisha Mammen and Shobhana Narasimhan, Inducing wetting morphologies and increased reactivities of small Au clusters on doped oxide supports, J. Chem. Phys. 149, 174701 (2018).

  6. Suman Majumder, Subir K. Das and Wolfhard Janke, Universal finite-size scaling function for kinetics of phase seperation in mixtures with varying number of components, Physical Review E 98, 042142 (2018).

  7. Rajasree Das, Saikat Debnath, G. Narsinga Rao, Shobhana Narasimhan and F. C. Chou, Ferrimagnetic Cluster Formation Due to Oxygen Vacancies in CaFe2O4-\delta, Physical Review B 98, 144404 (2018).

  8. Shubhajit Das and Swapan K Pati,  Unravelling the Mechanism of Tin-based Frustrated Lewis Pair Catalysed Hydrogenation of Carbonyl Compounds  , Catalysis Science and Technology 8, 5178 - 5189 (2018).

  9. S Roy, VM Suresh, A Hazra, A Bandyopadhyay, S Laha, SK Pati and TK Maji, Solvent-Modulated Emission Properties in a Superhydrophobic Oligo(p-phenyleneethynylene)-Based 3D Porous Supramolecular Framework, Inorganic Chemistry 57, 8693 - 8696 (2018).

  10. R. Haldar, S. Diring, P. K. Samanta, M. Muth, W. Clancy, A. Mazel, S. Schlabach, F. Kirschhoefer, G. Brenner-Weiss, S. K. Pati, F. Odobel and C. Wöll, , Angew. Chem. Int. Ed (2018). In Press.

  11. Vivek Gupta, Debdeep Mandal, Shubhajit Das, Biswajit Santra, R S Narayanan, Nicolas Chrysochos, Carola Schulzke, Swapan K Pati, Vadapalli Chandrasekhar and Anukul Jana, Neutral and Anionic Phosphate-Diester as Molecular Template for the Encapsulation of Water Dimer, Chemical Communications 54, 11913 - 11916 (2018).

  12. J. Das, S. Biswas, K. Ulman, R. Banerjee, G. Gautam, A. K. Kundu, S. Narasimhan and K.S.R. Menon, Electronic Structure of a Buried 2D Antiferromagnetic Layer: Experimental and Theoretical Investigation of Ag/Cr/Ag(001), Physical Review B 98, 075137 (2018).

  13. K. Navamani, P. K. Samanta and Swapan K Pati, Theoretical Modeling of Charge Transport in Triphenylamine-Benzimidazole Based Organic Solids for Their Application as Host-Materials in Phosphorescent OLED, RSC Advances 8, 30021 - 30039 (2018). In Press.

  14. P Vishnoi, Madhulika Mazumder, Swapan K Pati and CNR Rao, Arsenene Nanosheets and Quantum Dots, New Journal of Chemistry (2018). In Press.

  15. P Vishnoi, Madhulika Mazumder, Manaswee Barua, Swapan K Pati and CNR Rao, Phosphorene Quantum Dots, Chem. Phys. Lett 699, 223 - 228 (2018).

  16. Shubhajit Das and Swapan K Pati, Mechanistic Insights into Catalytic CO2 Hydrogenation using Mn(I)-complexes with Pendant Oxygen Ligands, Catalysis Science and Technology (featured as one of the journal content highlights) 8, 3034 - 3043 (2018).

  17. Syamantak Roy, Arkamita Bandyopadhyay, Mrinmay Das, Partha Pratim Ray, Swapan K. Pati and Tapas Kumar Maji, Redox-active and Semi-conducting Donor-Acceptor Conjugated Microporous Polymers as Metal-free ORR Catalysts, J. Mater. Chem. A 6, 5587 - 5591 (2018).

  18. Subir K. Das, Sergei A. Egorov, Peter Virnau, David Winter and Kurt Binder, Do the contact angle and line tension of surface-attached droplets depend on the radius of curvature?, Journal of Physics: Condensed Matter 30, 255001 (2018).

  19. Arkamita Bandyopadhyay, Dibyajyoti Ghosh and Swapan K Pati, Shining Light on New Generation Two Dimensional Materials in Computational Viewpoint, J. Phys. Chem. Lett. (2018). In Press.

  20. P. Kumar, J. Liu, Y. Hu, S. R. K. C. Yamijala, S. K Pati, J. Irudayaraj and G. Cheng, Alpha Lead oxide (α-PbO): A New 2D material with visible light sensitivity, Small (2018). In Press.

  21. Bradraj Pandey and Swapan K Pati, Quench dynamics of two-component dipolar fermions with and without disorder, Submitted, (2018).

  22. Pralok K. Samanta and Swapan K. Pati, Theoretical Insights into the Excited State Properties of Room Temperature Phosphorescence Emitting N-Substituted Naphthalimides  J. Mol. Model. 24, 246, (2018).

  23. Shubhajit Das, Sukanta Mondal and Swapan K Pati, Mechanistic Insights into Hydrogen Activation by Frustrated N/Sn Lewis Pairs, Chem-Euro. J (2018). In Press.

  24. N. Mammen, L. Spanu, E. Tyo, B. Yang, A. Halder, S. Seifert, M. J. Pellin, S. Vajda and S. Narasimhan, Reversing Size-Dependent Trends in the Oxidation of Copper Clusters through Support Effects, European Journal of Inorganic Chemistry 16 - 22 (2018).

  25. Subhajit Paul and Subir K. Das, Dimension dependence of clustering dynamics in models of ballistic aggregation and freely cooling granular gas , Physical Review E 97, 032902 (2018).

  26. Mani, Prabu, Sheelam, Anjaiah, Das, Shubhajit, Wang, Guanxiong, Ramani, Vijay, Ramanujam, Kothandaraman, Pati, Swapan and Mandal, Sukhendu,  Cobalt-based Metal-Organic Framework for Oxygen Reduction Reaction, ACS Omega 3, 3830 - 3834 (2018).

  27. A. Bandyopadhyay, D. Ghosh and S. K. Pati, Structural and Magnetoelectronic Properties of Point Defects in MXenes from First Principles, Phys. Chem. Chem. Phys. (2018). In Press.

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