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Manish Kumar
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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
962021
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
462021
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
382020
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
362020
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
29*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
282019
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
252020
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
21*2021
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
212020
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
192022
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
152022
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
112021
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
102020
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
102018
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
92019
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
82020
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
52021
Exploring Chalcohalide Perovskite-Inspired Materials (Sn2SbX2I3; X = S or Se) for Optoelectronic and Spintronic Applications
M Kumar, S Sheoran, S Bhattacharya
The Journal of Physical Chemistry Letters 14 (45), 10158-10165, 2023
22023
Theoretical Insights of Designing Perovskite Materials for Optoelectronic Applications
D Gill, M Jain, P Bhumla, P Basera, M Kumar, S Bhattacharya
Perovskite Optoelectronic Devices, 113-148, 2024
2024
Unveiling the Synergic Potential of Dual Junction MoSe2/n-Ga2O3/p-GaN Heterojunction for Ultra-Broadband Photodetection
V Aggarwal, M Kumar, R Kumar, S Gautam, A Yadav, S Shrivastava, ...
Materials Advances, 2024
2024
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