| 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), 2010 | 477 | 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 | 475 | 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 | 193 | 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 | 113 | 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), 2009 | 84 | 2009 |
| Magnetism in small bimetallic Mn-Co clusters S Ganguly, M Kabir, S Datta, et al. Physical Review B 78 (1), 10, 2008 | 61 | 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 | 41 | 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 | 34 | 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 | 32 | 2017 |
| 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 | 32 | 2008 |
| 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 | 27 | 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 | 26 | 2011 |
| 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 | 20* | 2017 |
| Energy Environ. Sci. 5, 5814 (2012) IE Castelli, T Olsen, S Datta, DD Landis, S Dahl, KS Thygesen, ... | 20 | |
| 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 | 18 | 2020 |
| 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 | 17 | 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 | 17 | 2012 |
| 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 | 14 | 2007 |
| 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 | 12 | 2015 |
| Structure, reactivity and electronic properties of Mn doped Ni13 clusters R Banerjee, S Datta, A Mookerjee Physica B: Condensed Matter 419, 86-89, 2013 | 11 | 2013 |
tanusri saha-dasguptaSenior Professor, S.N.Bose National Centre for Basic SciencesVerified email at bose.res.in
