soumendu datta
soumendu datta
INSPIRE Faculty, Satyendra Nath Bose National Centre for Basic Sciences, Sector III, Salt Lake
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Citata da
Citata da
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
JS Hummelshøj, J Blomqvist, S Datta, T Vegge, J Rossmeisl, ...
The Journal of chemical physics 132 (7), 071101, 2010
Computational screening of perovskite metal oxides for optimal solar light capture
IE Castelli, T Olsen, S Datta, et al.
Energy & Environmental Science 5 (2), 5814-5819, 2012
Structure, bonding, and magnetism of cobalt clusters from first-principles calculations
S Datta, M Kabir, S Ganguly, et al
Physical Review B 76 (1), 11, 2007
DFT calculations on the electronic structures of BiOX (X = F, Cl, Br, I) photocatalysts with and without semicore Bi 5d states
WL Huang, Q Zhu
Journal of computational chemistry 30 (2), 183-190, 2009
High-throughput computational screening of perovskites for thermochemical water splitting applications
AA Emery, JE Saal, S Kirklin, VI Hegde, C Wolverton
Chemistry of Materials 28 (16), 5621-5634, 2016
Band-gap variation in Mg- and Cd-doped ZnO nanostructures and molecular clusters
MK Yadav, M Ghosh, R Biswas, et al.
Physical Review B 76 (19), 9, 2007
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ...
The Journal of chemical physics 131 (1), 014101, 2009
Magnetism in small bimetallic Mn-Co clusters
S Ganguly, M Kabir, S Datta, et al.
Physical Review B 78 (1), 10, 2008
Structure, reactivity, and electronic properties of V-doped Co clusters
S Datta, M Kabir, T Saha-Dasgupta, A Mookerjee
Physical Review B 80 (8), 085418, 2009
First-principles study of structural stability and electronic structure of CdS nanoclusters
S Datta, M Kabir, T Saha-Dasgupta, et al.
Journal of Physical Chemistry C 112 (22), 8206-8214, 2008
Ab initio study of structural stability of small 3 late transition metal clusters: Interplay of magnetization and hybridization
S Datta, M Kabir, T Saha-Dasgupta
Physical Review B 84 (7), 075429, 2011
Materials Acceleration Platform: Accelerating Advanced Energy Materials Discovery by Integrating High-Throughput Methods and Artificial Intelligence.
A Aspuru-Guzik, K Persson
Mission Innovation, 2018
Engineering the magnetic properties of the Mn 13 cluster by doping
S Datta, M Kabir, A Mookerjee, T Saha-Dasgupta
Physical Review B 83 (7), 075425, 2011
First principles study of bimetallic Ni13-nAgn nano-clusters (n = 0-13): Structural, mixing, electronic, and magnetic properties
TSD Soumendu Datta, A. K. Raychaudhuri
J. Chem. Phys. 146 (16), 164301, 2017
Interplay between chemical and magnetic order in FeRh clusters
JH Mokkath, GM Pastor
The Journal of Physical Chemistry C 116 (32), 17228-17238, 2012
First-Principles Screening of All-Inorganic Lead-Free ABX3 Perovskites
X Mao, L Sun, T Wu, T Chu, W Deng, K Han
The Journal of Physical Chemistry C 122 (14), 7670-7675, 2018
Wannier function study of the relative stability of zinc-blende and wurtzite structures in the CdX (X= S, Se, Te) series
S Datta, T Saha-Dasgupta, DD Sarma
Journal of physics: condensed matter 20 (44), 445217, 2008
Energy Environ. Sci. 5, 5814 (2012)
IE Castelli, T Olsen, S Datta, DD Landis, S Dahl, KS Thygesen, ...
Structural, electronic and magnetic properties of transition metal binary alloy clusters with isoelectronic components: case study with MnmTcn, TimZrn and MnmRen
S Datta, T Saha-Dasgupta
Journal of Physics: Condensed Matter 25 (22), 225302, 2013
SixC1− xO2 alloys: A possible route to stabilize carbon-based silica-like solids?
A Aravindh, A Arkundato, S Barman, S Baroni, BL Bhargava, ...
Solid state communications 144 (7-8), 273-276, 2007
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