| Issue Date | Title | Author(s) |
| Feb-2013 | Solution structures of purine base analogues 6-chloroguanine, 8-azaguanine and allopurinol | Gogia, Spriha; PURANIK, MRINALINI; Dept. of Chemistry |
| Jul-2013 | Fluxionality of Au Clusters at Ceria Surfaces during CO Oxidation: Relationships among Reactivity, Size, Cohesion, and Surface Defects from DFT Simulations | GHOSH, PRASENJIT; Matteo Farnesi; Camellone; Stefano Fabris; Dept. of Physics |
| Aug-2016 | Terahertz Conductivity within Colloidal CsPbBr3 Perovskite Nanocrystals: Remarkably High Carrier Mobilities and Large Diffusion Lengths | Yettapu, Gurivi Reddy; Talukdar, Debnath; Sarkar, Sohini; SWARNKAR, ABHISHEK; NAG, ANGSHUMAN; GHOSH, PRASENJIT; MANDAL, PANKAJ; Dept. of Chemistry |
| Apr-2017 | First principles investigations of small bimetallic PdGa clusters as catalysts for hydrogen dissociation | Indu Kaul; GHOSH, PRASENJIT; Dept. of Physics |
| Jun-2017 | Predicting the redox properties of uranyl complexes using electronic structure calculations | Khungar, Bharti; Roy, Ankita; KUMAR, ANAND; Sadhu, Biswajit; Sundararajan, Mahesh; Dept. of Chemistry |
| Oct-2017 | Nitrogen-Doped Graphene with a Three-Dimensional Architecture Assisted by Carbon Nitride Tetrapods as an Efficient Metal-Free Electrocatalyst for Hydrogen Evolution | Gangadharan, Pranav K.; Unni, Sreekuttan M.; KUMAR, NANDHA; GHOSH, PRASENJIT; Kurungot, Sreekumar; Dept. of Physics |
| Sep-2019 | Computational Investigation of Structure, Dynamics and Proton Transport in Polymer Electrolyte Membrane Fuel Cells | VENKATNATHAN, ARUN; PANT, RAKESH; Dept. of Chemistry; 20133265 |
| Mar-2020 | Computer Simulations of CO2 Absorption in Amino Acid Ionics & Ion Conduction in Alkali Metal Battery Electrolytes | VENKATNATHAN, ARUN; PRAKASH, PRABHAT; Dept. of Chemistry; 20143344 |
| Apr-2020 | Electronic structure and local spectroscopy of 2-D Mott insulators | KABIR, MUKUL; JHA THAKUR, AMITAYUSH; Dept. of Physics; 20151021 |
| Nov-2020 | Enhanced electrocatalytic oxygen evolution activity in geometrically designed SrRuO3 thin films | BISWAS, ABHIJIT; SHANKER, G. SHIVA; Das, Tisita; MANDAL, RAJESH; Chakraborty, Sudip; OGALE, SATISHCHANDRA; Dept. of Physics |
| Apr-2021 | Coverage dependent CO2 activation on Ti2C(111) surface: Effect of intrinsic subsurface Carbon vacancies | KURIAKOSE, NISHAMOL; MOHAN, ASWATHI T.; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics |
| May-2021 | The Interaction of two-dimensional P2SiS nanosheet with environmental toxic NCG molecules for sensor application: A DFT study | Kumar, Vipin; BANO, AMREEN; Rajput, Kaptan; Roy, Debesh R.; Dept. of Physics |
| Sep-2021 | Few-Layer SrRu2O6 Nanosheets as Non-Van der Waals Honeycomb Antiferromagnets: Implications for Two-Dimensional Spintronics | HOMKAR, SUVIDYAKUMAR; CHAND, BHARAT; RAJPUT, SHATRUHAN SINGH; Gorantla, Sandeep; Das, Tilak; BABAR, ROHIT; PATIL, SHIVPRASAD; Klingeler, Ruediger; NAIR, SUNIL; KABIR, MUKUL; BAJPAI, ASHNA; Dept. of Physics |
| Dec-2021 | Stability and electronic properties of the graphene-supported FeO nanostructures including clusters and monolayer | BANO, AMREEN; Patra, Lokanath; Pandey, Ravindra; Dept. of Physics |
| Apr-2022 | Comparative Study of ZnO Nanomaterials Synthesized by Green and Electrospinning Methods | Barman, Subhodeep; Kumar, Jagadish; Das, Arnab Kumar; Sikdar, Suranjan; BISWAS, ABHIJIT; Srinivasan, Ananthakrishnan; Das, Rahul; Dept. of Physics |
| May-2022 | First principles study of Skutterudite/Nb interface at high temperatures for thermoelectric applications | GHOSH, PRASENJIT; GOPIDI, HARSHAN REDDY; Dept. of Physics; 20171040 |
| Sep-2024 | Thermoelectric properties of low thermal conductivity half Heuslers TiXPb (X = Ni, Pd, Pt): A first principles investigation | Khatri, Prakash; Adhikari, Narayan Prasad; GHOSH, PRASENJIT; Dept. of Physics |
