Arunima Singh
Title
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Cited by
Year
Stability of non-metal dopants to tune the photo-absorption of TiO 2 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), 1-13, 2019
102019
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
72018
Sublattice mixing in CsAgInCl for enhanced optical properties from first-principles
M Kumar, M Jain, A Singh, S Bhattacharya
arXiv preprint arXiv:2004.07991, 2020
42020
Capturing Excitonic Effects in Lead Iodide Perovskites from Many-Body Perturbation Theory
P Basera, A Singh, D Gill, S Bhattacharya
arXiv preprint arXiv:2008.03381, 2020
32020
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
32020
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
22019
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, 5301-5307, 2021
12021
Sublattice mixing in Cs2AgInCl6 for enhanced optical properties from first-principles
M Kumar, M Jain, A Singh, S Bhattacharya
Applied Physics Letters 118 (2), 021901, 2021
12021
Regeneration of Catalytic Activity of CuO-Cu2O/In2O3 Nanocomposite towards Electrochemical Reduction of CO2 by UV Light Treatment
P Devi, A Singh, K Malik, A Verma, S Bhattacharya, JP Singh
Journal of The Electrochemical Society, 2021
2021
Metal-organic frameworks functionalized 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 411, 125056, 2021
2021
Exploring Exciton and Polaron Dominated Photo-physical Phenomena in Ruddlesden-Popper Phases of Ban+ 1ZrnS3n+ 1 (n=[1-3]) from Many Body Perturbation Theory
D Gill, A Singh, M Jain, S Bhattacharya
arXiv preprint arXiv:2105.03757, 2021
2021
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 (10), 2837-2845, 2021
2021
Ab-initio study on opto-electronic properties of non-metal doped TiO2
P Basera, S Saini, E Arora, A Singh, S Bhattacharya
Materials Today: Proceedings 26, 94-96, 2020
2020
Electronic, magnetic and optical properties of C, N-doped TiO2 anatase: A hybrid density functional study
P Basera, S Saini, E Arora, A Singh, S Bhattacharya
AIP Conference Proceedings 2115 (1), 030394, 2019
2019
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