| 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 | 63 | 2021 |
| Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO3 M Kumar, P Basera, S Saini, S Bhattacharya The Journal of Physical Chemistry C 124 (19), 10272-10279, 2020 | 28 | 2020 |
| Reducing lead toxicity in the methylammonium lead halide : Why Sn substitution should be preferred to Pb vacancy for optimum solar cell efficiency P Basera, M Kumar, S Saini, S Bhattacharya Physical Review B 101 (5), 054108, 2020 | 27 | 2020 |
| 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 | 22 | 2021 |
| Innovative Approach to Photo-Chemiresistive Sensing Technology: Surface-Fluorinated SnO2 for VOC Detection G Bahuguna, I Mondal, M Verma, M Kumar, S Bhattacharya, R Gupta, ... ACS applied materials & interfaces 12 (33), 37320-37329, 2020 | 20 | 2020 |
| High-throughput screening to modulate electronic and optical properties of alloyed Cs2AgBiCl6 for enhanced solar cell efficiency D Gill, P Bhumla, M Kumar, S Bhattacharya Journal of Physics: Materials 4 (2), 025005, 2021 | 18* | 2021 |
| Stability of non-metal dopants to tune the photo-absorption of TiO2 at realistic temperatures and oxygen partial pressures: A hybrid DFT study P Basera, S Saini, E Arora, A Singh, M Kumar, S Bhattacharya Scientific reports 9 (1), 11427, 2019 | 17 | 2019 |
| Understanding the role of Sn substitution and Pb-□ in enhancing the optical properties and solar cell efficiency of CH (NH 2) 2 Pb 1− x− y Sn x□ y Br 3 M Jain, A Singh, P Basera, M Kumar, S Bhattacharya Journal of Materials Chemistry C 8 (30), 10362-10368, 2020 | 13 | 2020 |
| Sublattice mixing in Cs2AgInCl6 for enhanced optical properties from first-principles M Kumar, M Jain, A Singh, S Bhattacharya Applied Physics Letters 118 (2), 2021 | 11* | 2021 |
| Elucidating the Role of Temperature and Pressure to the Thermodynamic Stability of Charged Defects in Complex Metal-Hydrides: A Case Study of NaAlH4 E Arora, S Saini, P Basera, M Kumar, A Singh, S Bhattacharya The Journal of Physical Chemistry C 123 (1), 62-69, 2018 | 10 | 2018 |
| Theoretical insights of codoping to modulate electronic structure of and for enhanced photocatalytic efficiency M Kumar, P Basera, S Saini, S Bhattacharya Scientific Reports 10 (1), 15372, 2020 | 8 | 2020 |
| Importance of Many-Body Dispersion in the Stability of Vacancies and Antisites in Free-Standing Monolayer of MoS2 from First-Principles Approaches A Singh, P Basera, S Saini, M Kumar, S Bhattacharya The Journal of Physical Chemistry C 124 (2), 1390-1397, 2019 | 8 | 2019 |
| Rashba spin splitting and anomalous spin textures in the bulk ferroelectric oxide perovskite KIO 3 S Sheoran, M Kumar, P Bhumla, S Bhattacharya Materials Advances 3 (10), 4170-4178, 2022 | 7 | 2022 |
| Theoretical insights into C–H bond activation of methane by transition metal clusters: the role of anharmonic effects P Bhumla, M Kumar, S Bhattacharya Nanoscale Advances 3 (2), 575-583, 2021 | 7 | 2021 |
| Lead-free alloyed double perovskites: An emerging class of materials for optoelectronic applications M Jain, P Bhumla, M Kumar, S Bhattacharya The Journal of Physical Chemistry C 126 (15), 6753-6760, 2022 | 6 | 2022 |
| Structure-Dependent (Non)Linear Optical Excitons in Primary Cyclic Ammonium (CnH2n–1NH2; n = 3–8)-Based Inorganic–Organic Hybrid Semiconductor … KM Dehury, PK Kanaujia, M Adnan, M Kumar, S Bhattacharya, ... The Journal of Physical Chemistry C 125 (12), 6821-6831, 2021 | 6 | 2021 |
| Understanding the Ionic Diffusivity in the (Meta) Stable (Un) doped Solid-State Electrolyte from First-Principles: A Case Study of LISICON D Gill, M Kumar, P Basera, S Bhattacharya The Journal of Physical Chemistry C 124 (32), 17485-17493, 2020 | 6 | 2020 |
| Publisher's Note:“Sublattice mixing in Cs2AgInCl6 for enhanced optical properties from first-principles”[Appl. Phys Lett. 118, 021901 (2021)] M Kumar, M Jain, A Singh, S Bhattacharya Applied Physics Letters 118 (23), 2021 | 1 | 2021 |
| Understanding defects and excited-state properties in perovskites from many body perturbation theory M Kumar IIT Delhi, 2022 | | 2022 |
| Metastability triggered reactivity in clusters at realistic conditions: a case study of N-doped (TiO2) n for photocatalysis S Saini, P Basera, M Kumar, P Bhumla, S Bhattacharya Journal of Physics: Materials 4 (1), 015001, 2020 | | 2020 |
Saswata BhattacharyaAssociate Professor, Department of Physics, Indian Institute of Technology Delhi, Hauz KhasVerified email at physics.iitd.ac.in
