Dr. DEEPAK KUMAR RAI

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Alok ShuklaProfessor of Physics, Indian Institute of Technology BombayVerified email at phy.iitb.ac.in
Pritam BhattacharyyaPostdoctoral Fellow, Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e.V.Verified email at ifw-dresden.de
Dr. Pradip Kumar PriyaDepartment of Physics, Ewing Christian College,University of Allahabad, IndiaVerified email at iitb.ac.in
Himanshu ChakrabortySVKM's Mithibai College of Arts, Chauhan Institute of Science, Amrutben & Jivanlal College ofVerified email at mithibai.ac.in
Birabar NandaProfessor of Physics, IIT MadrasVerified email at iitm.ac.in
Yang-Gang WangAssociate Professor of Chemistry, Southern University of Science and Technology

Dr. DEEPAK KUMAR RAI

Assistant Professor, Department of Physics Chandigarh University

Verified email at smail.iitm.ac.in

Optical and electronic properties of nanomaterials


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Mechanistic insight into the catalytically active phase of CO2 hydrogenation on Cu/ZnO catalyst XK Wu, GJ Xia, Z Huang, DK Rai, H Zhao, J Zhang, J Yun, YG Wang Applied Surface Science 525, 146481, 2020	24	2020
Photoabsorption in sodium clusters: first principles configuration interaction calculations PK Priya, DK Rai, A Shukla The European Physical Journal D 71, 1-16, 2017	8	2017
Pariser–Parr–Pople Model Based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules P Bhattacharyya, DK Rai, A Shukla The Journal of Physical Chemistry C 124 (26), 14297-14305, 2020	6	2020
Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si₂H_2n (n = 1–3) P Bhattacharyya, DK Rai, A Shukla The Journal of Physical Chemistry A 123 (40), 8619-8631, 2019	6	2019
Tunable optoelectronic properties of triply bonded carbon molecules with linear and graphyne substructures DK Rai, H Chakraborty, A Shukla The Journal of Physical Chemistry C 122 (2), 1309-1317, 2018	6	2018
Excited states and optical properties of Hydrogen-passivated Rectangular Graphenes: A Computational study DK Rai, A Shukla Scientific reports 9 (1), 1-14, 2019	2	2019
A Pariser-Parr-Pople Model Based Study of Optoelectronic Properties of Phenacenes DK Rai, A Shukla arXiv preprint arXiv:1810.03482, 2018	1	2018
Recent advancements on single-atom catalysts DK Rai Materials Today: Proceedings, 2022		2022
Benchmarking the Quantum Chemical Methods to Examine Ground and Excited States Electronic Structure of Diatomic Molecules D Rai, BRK Nanda APS March Meeting Abstracts 2022, K46. 005, 2022		2022
The rise of Single-Atom Catalysts DK Rai arXiv preprint arXiv:2104.04370, 2021		2021

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