| The role of minor alloying elements on the stability and dispersion of yttria nanoclusters in nanostructured ferritic alloys: An ab initio study D Murali, BK Panigrahi, MC Valsakumar, S Chandra, CS Sundar, B Raj Journal of Nuclear Materials 403 (1-3), 113-116, 2010 | 104 | 2010 |
| Diffusion of Y and Ti/Zr in bcc iron: A first principles study D Murali, BK Panigrahi, MC Valsakumar, CS Sundar Journal of Nuclear Materials 419 (1-3), 208-212, 2011 | 69 | 2011 |
| Giant photovoltaic response in band engineered ferroelectric perovskite S Pal, AB Swain, PP Biswas, D Murali, A Pal, BRK Nanda, P Murugavel Scientific reports 8 (1), 8005, 2018 | 46 | 2018 |
| Stretchable and dynamically stable promising two-dimensional thermoelectric materials: ScP and ScAs K Kaur, D Murali, BRK Nanda Journal of materials chemistry A 7 (20), 12604-12615, 2019 | 44 | 2019 |
| First-principles calculation of defect free energies: General aspects illustrated in the case of bcc Fe D Murali, M Posselt, M Schiwarth Physical Review B 92 (6), 064103, 2015 | 35 | 2015 |
| Large Bulk Photovoltaic Response by Symmetry-Breaking Structural Transformation in Ferroelectric []0.5[(]0.5 AB Swain, D Murali, BRK Nanda, P Murugavel Physical Review Applied 11 (4), 044007, 2019 | 30 | 2019 |
| Bulk photovoltaic effect in BaTiO3-based ferroelectric oxides: An experimental and theoretical study S Pal, S Muthukrishnan, B Sadhukhan, S NV, D Murali, P Murugavel Journal of Applied Physics 129 (8), 2021 | 27 | 2021 |
| Enhanced bulk photovoltaic response in Sn doped BaTiO3 through composition dependent structural transformation L Kola, D Murali, S Pal, BRK Nanda, P Murugavel Applied Physics Letters 114 (18), 2019 | 23 | 2019 |
| Boosting Water Oxidation Performance of BiVO4 Photoanode by Vertically Stacked NiO Nanosheets Coupled with Atomically Dispersed Iridium Sites DA Reddy, Y Kim, KAJ Reddy, M Gopannagari, AP Rangappa, ... ACS Applied Energy Materials 4 (10), 11353-11366, 2021 | 22 | 2021 |
| Energetics, structure and composition of nanoclusters in oxide dispersion strengthened Fe–Cr alloys M Posselt, D Murali, BK Panigrahi Modelling and Simulation in Materials Science and Engineering 22 (8), 085003, 2014 | 17 | 2014 |
| Influence of phonon and electron excitations on the free energy of defect clusters in solids: a first-principles study M Posselt, D Murali, M Schiwarth Computational Materials Science 127, 284-294, 2017 | 8 | 2017 |
| Chemically Deposited nanocrystalline metal oxide thin films AAS Devi, D Murali Springer International Publishing, 2021 | 7 | 2021 |
| First principles calculations of the thermodynamic stability of Ba, Zr, and O vacancies in BaZrO 3 N Raja, D Murali, SVM Satyanarayana, M Posselt RSC advances 9 (59), 34158-34165, 2019 | 7 | 2019 |
| Novel metalless chalcogen-based Janus layers: a density functional theory study M Vallinayagam, AE Sudheer, SA Aravindh, D Murali, N Raja, R Katta, ... The Journal of Physical Chemistry C 127 (34), 17029-17038, 2023 | 6 | 2023 |
| Lattice kinetic monte carlo simulation of Y–Ti–O nanocluster formation in BCC Fe P Jegadeesan, D Murali, BK Panigrahi, MC Valsakumar, CS Sundar International Journal of Nanoscience 10 (04n05), 973-977, 2011 | 6 | 2011 |
| Regulating the charge carrier transport rate via bridging ternary heterojunctions to enable CdS nanorods’ solar-driven hydrogen evolution P Varma, AE Sudheer, AAS Devi, D Murali, DA Reddy Dalton Transactions 51 (48), 18693-18707, 2022 | 4 | 2022 |
| Re-examining the giant magnetization density in α′′-Fe 16 N 2 with the SCAN+ U method AAS Devi, J Nokelainen, B Barbiellini, M Devaraj, M Alatalo, A Bansil Physical Chemistry Chemical Physics 24 (29), 17879-17884, 2022 | 4 | 2022 |
| High Temperature Stability of BaZrO3: An Ab Initio Thermodynamic Study N Raja, D Murali, M Posselt, SVM Satyanarayana physica status solidi (b) 255 (3), 1700398, 2018 | 4 | 2018 |
| Effective tailoring of the MoS 2 layer number on the surface of CdS nanorods for boosting hydrogen production rate AE Sudheer, P Varma, AAS Devi, DA Reddy, D Murali Dalton Transactions 52 (16), 5297-5311, 2023 | 2 | 2023 |
| Modified HSE06 functional applied to anatase TiO2: influence of exchange fraction on the quasiparticle electronic structure and optical response SL SB, D Murali, M Posselt, AAS Devi, A Sharan Electronic Structure 4 (4), 045001, 2022 | 2 | 2022 |
Binaya Kumar PanigrahiFormer Director Materials Chemistry and Metal Fuel Cycle Group and EIGVerified email at gov.in
