soumendu datta
soumendu datta
INSPIRE Faculty, Satyendra Nath Bose National Centre for Basic Sciences, Sector III, Salt Lake
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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
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
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
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
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
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
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
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
Effects of shape and composition on the properties of CdS nanocrystals
S Datta, M Kabir, T Saha-Dasgupta
Physical Review B 86 (11), 115307, 2012
Impact of bi-axial strain on structural, electronic and optical properties of photo-catalytic bulk bismuth oxyhalides
SD Sangita Dutta, Tilak Das
Physical Chemistry Chemical Physics, 2017
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
Thermoc hemical stability, electronic and dielectric properties of Janus bismuth oxyhalide materials BiOX (X = Cl, Br, I) monolayers
T Das, S Datta
Nanoscale Advances, 2020
First principles study of electronic structure for cubane-like and ring-shaped structures of M4O4, M4S4 clusters (M = Mn, Fe, Co, Ni and Cu)
SDB Rahaman
AIP Advances 5, 117231, 2015
Ultra-small Cd@NiAg and Cr@NiAg nano-clusters with enhanced mixing
S Datta
AIP Advances 9, 115316, 2019
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