Saswata Bhattacharya

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Pooja BaseraPostdoctoral Fellow, Stanford UniversityVerified email at stanford.edu
G. P. DasTCG Centres for Research and Education in Science and TechnologyVerified email at tcgcrest.org
Preeti BhumlaPostdoctoral Researcher, Ruhr University BochumVerified email at physics.iitd.ac.in
shikha sainiPostdoctoral Fellow, Massachusetts Institute of TechnologyVerified email at mit.edu
Arunima SinghResearch Scholar, Indian Institute of Technology DelhiVerified email at physics.iitd.ac.in
MANJARI JAINPostdoc, Technical University of DenmarkVerified email at dtu.dk
Deepika GillPost-doc, Max Born Institute Berlin, GermanyVerified email at mbi-berlin.de
Sajjan SheoranResearch Associate (Postdoc), Howard University, Washington DCVerified email at physics.iitd.ac.in
Sameer SapraIndian Institute of Science, LMU Munich, TU Dresden, Indian Institute of Technology Delhi, IIT DelhiVerified email at chemistry.iitd.ac.in
Luca M. GhiringhelliProfessor for Data-based Materials Modeling @ FAU, dept. of Materials Science and EngineeringVerified email at fau.de
Sergey V. LevchenkoSkolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, RussiaVerified email at skoltech.ru
Venkata KrishnanProfessor, School of Chemical Sciences, Indian Institute of Technology MandiVerified email at iitmandi.ac.in
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
JP SinghIndian institute of technology DelhiVerified email at physics.iitd.ac.in
Manish KumarResearch Scholar, University of South CarolinaVerified email at mailbox.sc.edu

Saswata Bhattacharya

Associate Professor, Department of Physics, Indian Institute of Technology Delhi, Hauz Khas

Verified email at physics.iitd.ac.in - Homepage

Condensed Matter Physics


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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	624	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	171	2010
Band gap engineering by functionalization of BN sheet A Bhattacharya, S Bhattacharya, GP Das Physical Review B—Condensed Matter and Materials Physics 85 (3), 035415, 2012	160	2012
Band Gap Engineering in Cs₂(Na_xAg_1–x)BiCl₆ Double Perovskite Nanocrystals RS Lamba, P Basera, S Bhattacharya, S Sapra The Journal of Physical Chemistry Letters 10 (17), 5173-5181, 2019	133	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	130	2018
Stability and Metastability of Clusters in a Reactive Atmosphere: <?format ?>Theoretical Evidence for Unexpected Stoichiometries of S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler Physical review letters 111 (13), 135501, 2013	96	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	95	2021
Third conformer of graphane: A first-principles density functional theory study A Bhattacharya, S Bhattacharya, C Majumder, GP Das Physical Review B—Condensed Matter and Materials Physics 83 (3), 033404, 2011	86	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	56	2016
Strain-induced band-gap deformation of H/F passivated graphene and -BN sheet A Bhattacharya, S Bhattacharya, GP Das Physical Review B—Condensed Matter and Materials Physics 84 (7), 075454, 2011	55	2011
Hydrogen Storage in Ti-Decorated BC₄N Nanotube S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 112 (45), 17487-17491, 2008	55	2008
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	54	2014
Lead-Free Alloyed Double-Perovskite Nanocrystals of Cs₂(Na_xAg_1–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	46	2021
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	45	2021
Optoelectronic properties of chalcogenide perovskites by many-body perturbation theory M Kumar, A Singh, D Gill, S Bhattacharya The Journal of Physical Chemistry Letters 12 (22), 5301-5307, 2021	44	2021
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	44	2020
Exploring semiconductor substrates for silicene epitaxy A Bhattacharya, S Bhattacharya, GP Das Applied Physics Letters 103 (12), 2013	44	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
Understanding the efficient electrocatalytic activities of MoSe 2–Cu 2 S nanoheterostructures MS Hassan, P Basera, S Gahlawat, PP Ingole, S Bhattacharya, S Sapra Journal of Materials Chemistry A 9 (15), 9837-9848, 2021	42	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	41	2009

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