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
24 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 EIGПодтвержден адрес электронной почты в домене gov.in
