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Deepika Gill
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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
292021
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
21*2021
Theoretical insights to excitonic effect in lead bromide perovskites
M Jain, D Gill, P Bhumla, P Basera, S Bhattacharya
Applied Physics Letters 118 (19), 2021
192021
Capturing excitonic and polaronic effects in lead iodide perovskites using many-body perturbation theory
P Basera, A Singh, D Gill, S Bhattacharya
Journal of Materials Chemistry C 9 (47), 17113-17123, 2021
142021
Origin of Rashba Spin Splitting and Strain Tunability in Ferroelectric Bulk CsPbF3
P Bhumla, D Gill, S Sheoran, S Bhattacharya
The Journal of Physical Chemistry Letters 12 (39), 9539-9546, 2021
132021
Controlled synthesis of Ru-single-atoms on ordered mesoporous phosphine polymers for microwave-assisted conversion of biomass-derived sugars to artificial sweeteners
A Modak, D Gill, AR Mankar, KK Pant, V Bhasin, C Nayak, S Bhattacharya
Nanoscale 14 (42), 15875-15888, 2022
112022
Exploring Exciton and Polaron Dominated Photophysical Phenomena in Ruddlesden–Popper Phases of Ban+1ZrnS3n+1 (n = 1–3) from Many Body …
D Gill, A Singh, M Jain, S Bhattacharya
The Journal of Physical Chemistry Letters 12 (28), 6698-6706, 2021
102021
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
Elucidating the Mn2+ Dopant Sites in Two-Dimensional Na–In Halide Perovskite
P Yadav, D Gill, S Khurana, RS Lamba, S Bhattacharya, S Sapra
The Journal of Physical Chemistry C 127 (7), 3609-3618, 2023
62023
Oxynitride, Oxyfluoride, and Nitrofluoride Perovskites: Theoretical Evaluation of Photon Absorption Properties for Solar Water Splitting
M Jain, D Gill, S Monga, S Bhattacharya
The Journal of Physical Chemistry C 127 (31), 15620-15629, 2023
4*2023
Sn/Ge Substitution in ((CnH2n–1NH3)2PbI4; n = 3–6): An Emerging 2D Layered Hybrid Perovskites with Enhanced Optoelectronic Properties
D Gill, G Yadav, S Bhattacharya
The Journal of Physical Chemistry C 126 (32), 13957-13966, 2022
42022
Boosting Photocatalytic Nitrogen Fixation via Nanoarchitectonics Using Oxygen Vacancy Regulation in W-Doped Bi2MoO6 Nanosheets
M Sharma, A Kumar, D Gill, S Jaiswal, A Patra, S Bhattacharya, ...
ACS Applied Materials & Interfaces 15 (48), 55765-55778, 2023
32023
SO 3 decomposition over silica-modified β-SiC supported CuFe 2 O 4 catalyst: characterization, performance, and atomistic insights
S Tomar, D Gill, K Kondamudi, S Upadhyayula, S Bhattacharya
Nanoscale 14 (18), 6876-6887, 2022
32022
Giant and controllable valley currents in graphene by double pumped thz light
S Sharma, D Gill, S Shallcross
Nano Letters 23 (22), 10305-10310, 2023
12023
Kohn-Sham-Proca equations for ultrafast exciton dynamics
JK Dewhurst, D Gill, S Shallcross, S Sharma
arXiv preprint arXiv:2401.16140, 2024
2024
Strain-driven topological quantum phase transition in (pseudo) cubic (mixed)-Cs/MA/FA halide perovskites
A Phutela, S Sheoran, D Gill, S Bhattacharya
Journal of Materials Chemistry C, 2024
2024
Facile Hydrogenolysis of Sugars to 1,2-Glycols by Ru@PPh3/OPPh3 Confined Large-Pore Mesoporous Silica
A Modak, D Gill, K Sharma, V Bhasin, KK Pant, SN Jha, D Bhattacharyya, ...
The Journal of Physical Chemistry Letters 14 (48), 10832-10846, 2023
2023
Tuning electronic and optical properties by sublattice mixing of Cs2AgBiCl6for solar cell application: High-throughput screening from first-principles
D Gill, S Bhattacharya
APS March Meeting Abstracts 2021, H71. 080, 2021
2021
Understanding ionic diffusivity in (meta)stable (un)doped solid state electrolyte from first principles: A case study of LISICON (Li4SiO4)
D Gill, S Bhattacharya
APS March Meeting Abstracts 2021, E61. 015, 2021
2021
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Articles 1–19