| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 590 | 2016 |
| Transition-metal decoration enhanced room-temperature hydrogen storage in a defect-modulated graphene sheet A Bhattacharya, S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 114 (22), 10297-10301, 2010 | 167 | 2010 |
| Band gap engineering by functionalization of BN sheet A Bhattacharya, S Bhattacharya, GP Das Physical Review B 85 (3), 035415, 2012 | 157 | 2012 |
| Band Gap Engineering in Cs2(NaxAg1–x)BiCl6 Double Perovskite Nanocrystals RS Lamba, P Basera, S Bhattacharya, S Sapra The Journal of Physical Chemistry Letters 10 (17), 5173-5181, 2019 | 129 | 2019 |
| GAtor: a first-principles genetic algorithm for molecular crystal structure prediction F Curtis, X Li, T Rose, A Vazquez-Mayagoitia, S Bhattacharya, ... Journal of chemical theory and computation 14 (4), 2246-2264, 2018 | 121 | 2018 |
| Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler arXiv preprint arXiv:1304.4803, 2013 | 93 | 2013 |
| Unraveling the structural and morphological stability of oxygen vacancy engineered leaf-templated CaTiO 3 towards photocatalytic H 2 evolution and N 2 fixation reactions A Kumar, M Kumar, VN Rao, MV Shankar, S Bhattacharya, V Krishnan Journal of Materials Chemistry A 9 (31), 17006-17018, 2021 | 87 | 2021 |
| Third conformer of graphane: A first-principles density functional theory study A Bhattacharya, S Bhattacharya, C Majumder, GP Das Physical Review B 83 (3), 033404, 2011 | 78 | 2011 |
| A fast and effective approach for reversible wetting-dewetting transitions on ZnO nanowires K Yadav, BR Mehta, S Bhattacharya, JP Singh Scientific reports 6 (1), 35073, 2016 | 54 | 2016 |
| Strain-induced band-gap deformation of H/F passivated graphene and h-BN sheet A Bhattacharya, S Bhattacharya, GP Das Physical Review B 84 (7), 075454, 2011 | 54 | 2011 |
| Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler New Journal of Physics 16 (12), 123016, 2014 | 53 | 2014 |
| Hydrogen Storage in Ti-Decorated BC4N Nanotube S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 112 (45), 17487-17491, 2008 | 53 | 2008 |
| Concepts and methods in modern theoretical chemistry: electronic structure and reactivity SK Ghosh, PK Chattaraj CRC Press, 2013 | 45 | 2013 |
| Lead-Free Alloyed Double-Perovskite Nanocrystals of Cs2(NaxAg1–x)BiBr6 with Tunable Band Gap RS Lamba, P Basera, S Singh, S Bhattacharya, S Sapra The Journal of Physical Chemistry C 125 (3), 1954-1962, 2021 | 44 | 2021 |
| Exploring semiconductor substrates for silicene epitaxy A Bhattacharya, S Bhattacharya, GP Das Applied Physics Letters 103 (12), 2013 | 43 | 2013 |
| Anti-Kubas type interaction in hydrogen storage on a Li decorated BHNH sheet: a first-principles based study S Bhattacharya, A Bhattacharya, GP Das The Journal of Physical Chemistry C 116 (5), 3840-3844, 2012 | 43 | 2012 |
| Metal-Organic Frameworks Functional Smart Textiles for Adsorptive removal of Hazardous Aromatic Pollutants from Ambient Air HS Jhinjer, A Singh, S Bhattacharya, M Jassal, AK Agrawal Journal of Hazardous Materials, 125056, 2021 | 39 | 2021 |
| Ti-Decorated BC4N Sheet: A planar Nanostructure for High-Capacity Hydrogen Storage S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 113 (36), 15783-15787, 2009 | 39 | 2009 |
| Enhanced Photocurrent Owing to Shuttling of Charge Carriers across 4-Aminothiophenol-Functionalized MoSe2–CsPbBr3 Nanohybrids MS Hassan, P Basera, S Bera, M Mittal, SK Ray, S Bhattacharya, S Sapra ACS applied materials & interfaces 12 (6), 7317-7325, 2020 | 38 | 2020 |
| MoS 2 and Janus (MoSSe) based 2D van der Waals heterostructures: emerging direct Z-scheme photocatalysts A Singh, M Jain, S Bhattacharya Nanoscale Advances 3, 2837, 2021 | 37 | 2021 |
Pooja BaseraPostdoctoral Fellow, Stanford University在 stanford.edu 的电子邮件经过验证
