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Soumendu Datta

Computational screening of perovskite metal oxides for optimal solar light capture
2011 · Ivano E. Castelli, Thomas Olsen, et al. · Energy & Environmental Science · 441
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
2010 · J. S. Hummelshøj, J. Blomqvist, et al. · The Journal of Chemical Physics · 421
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Structure, bonding, and magnetism of cobalt clusters from first-principles calculations
2007 · S. Datta, M. Kabir, et al. · Physical Review B · 158
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Probing electronic excitations in molecular conduction
2006 · B. Muralidharan, A. W. Ghosh, et al. · Physical Review B · 125
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Electrostatic potential profiles of molecular conductors
2004 · G. C. Liang, A. W. Ghosh, et al. · Physical Review B · 123
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Charging-induced asymmetry in molecular conductors
2004 · F. Zahid, A. W. Ghosh, et al. · Physical Review B · 108
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Band-gap variation in Mg- and Cd-doped ZnO nanostructures and molecular clusters
2007 · Manoj K. Yadav, Manoranjan Ghosh, et al. · Physical Review B · 102
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
2009 · J. S. Hummelshøj, D. D. Landis, et al. · The Journal of Chemical Physics · 87
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Electrical Conduction through Molecules
2003 · F. Zahid, M. Paulsson, et al. · Elsevier eBooks · 83
Magnetism in small bimetallic Mn-Co clusters
2008 · Shreemoyee Ganguly, Mukul Kabir, et al. · Physical Review B · 49
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Structure, reactivity, and electronic properties of V-doped Co clusters
2009 · Soumendu Datta, Mukul Kabir, et al. · Physical Review B · 38
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First principles study of bimetallic Ni13−nAgn nano-clusters (n = 0–13): Structural, mixing, electronic, and magnetic properties
2017 · Soumendu Datta, A. K. Raychaudhuri, et al. · The Journal of Chemical Physics · 37
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Thermochemical stability, and electronic and dielectric properties of Janus bismuth oxyhalide BiOX (X = Cl, Br, I) monolayers
2020 · Tilak Das, Soumendu Datta · Nanoscale Advances · 36
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First-Principles Study of Structural Stability and Electronic Structure of CdS Nanoclusters
2008 · S. Datta, M. Kabir, et al. · The Journal of Physical Chemistry C · 36
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Ab initio study of structural stability of small 3 d late transition metal clusters: Interplay of magnetization and hybridization
2011 · Soumendu Datta, Mukul Kabir, et al. · Physical Review B · 30
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First-principles nonequilibrium analysis of STM-induced molecular negative-differential resistance on Si(100)
2008 · K. H. Bevan, D. Kienle, et al. · Physical Review B · 26
Impact of bi-axial strain on the structural, electronic and optical properties of photo-catalytic bulk bismuth oxyhalides
2017 · Sangita Dutta, Tilak Das, et al. · Physical Chemistry Chemical Physics · 25
Engineering the magnetic properties of the Mn 13 cluster by doping
2011 · Soumendu Datta, Mukul Kabir, et al. · Physical Review B · 24
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SixC1−xO2 alloys: A possible route to stabilize carbon-based silica-like solids?
2007 · Assa Aravindh, Artoto Arkundato, et al. · Solid State Communications · 20
Structural, electronic and magnetic properties of transition metal binary alloy clusters with isoelectronic components: case study with MnmTcn, TimZrnand MnmRen
2013 · Soumendu Datta, Tanusri Saha-Dasgupta · Journal of Physics Condensed Matter · 16
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Effects of shape and composition on the properties of CdS nanocrystals
2012 · Soumendu Datta, Mukul Kabir, et al. · Physical Review B · 16
First principles study of electronic structure for cubane-like and ring-shaped structures of M4O4, M4S4 clusters (M = Mn, Fe, Co, Ni, Cu)
2015 · Soumendu Datta, Badiur Rahaman · AIP Advances · 15
Ultra-small Cd@NiAg and Cr@NiAg nano-clusters with enhanced mixing
2019 · Soumendu Datta · AIP Advances · 14
Understanding the Trend in Core–Shell Preferences for Bimetallic Nanoclusters: A Machine Learning Approach
2022 · Aishwaryo Ghosh, Soumendu Datta, et al. · The Journal of Physical Chemistry C · 13
Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations
2015 · Soumendu Datta, Gopi Chandra Kaphle, et al. · The Journal of Chemical Physics · 12
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Works count: 41
Citation count: 2,107
H-index: 19
I10-index: 25
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