Published research
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2026
DFT and AIMD insights into the stability and hydrogen storage performance of Na2XH6 (X = Cr, Mn, and Fe) perovskite hydrides
ROYAL SOC CHEMISTRY
Device-level photovoltaic assessment of lead-free X2SnCl6 (X = K, Rb) perovskites: Ab-initio study
ELSEVIER SCI LTD
Theoretical investigations of 2D Dion–Jacobson-type materials for energy storage applications: A DFT+U study
International Journal of Hydrogen Energy
Theoretical investigations of 2D Dion-Jacobson-type materials for energy storage applications: A DFT plus U study
ELSEVIER
Study of optical, thermoelectric, and mechanical behaviors of double perovskites Cs2SnVX6(X = Cl, Br, I) for renewable energy
IOP Publishing Ltd
2025
Investigation of energy storage in 2D Dion-Jacobson type materials using promised DFT + U approach
International Journal of Hydrogen Energy
Investigation of energy storage in layered perovskite-like oxides XCa2Ta3O10 (X= Li, Na) using promised DFT+U approach
International Journal of Hydrogen Energy
Investigation of energy storage in layered perovskite-like oxides XCa2Ta3O10 (X= Li, Na) using promised DFT+U approach
International Journal of Hydrogen Energy
Study of half-metallic ferromagnetism and transport properties of Cs2XI6 (X = transition metals) for spintronic and energy harvesting applications
PERGAMON-ELSEVIER SCIENCE LTD
Investigation of energy storage in 2D Dion-Jacobson type materials using promised DFT
ELSEVIER
2024
Computational exploration of oxide-based double perovskites Sr2MgWO6 and Ba2BiVO6 for photocatalysts for sustainable degradation processes
ELSEVIER
Revealing elastic, thermophysical, optoelectronic, and transport characteristics of halide double perovskites Na2TlSbZ6 (Z = Cl/Br/I) for eco-friendly technologies: DFT analysis
ELSEVIER
First principle study of physical aspects and hydrogen storage capacity of magnesium-based double perovskite hydrides Mg2XH6 (X = Cr, Mn)
PERGAMON-ELSEVIER SCIENCE LTD
Study of promising lithium-based lead-free double perovskites Li2AuBiX6 (X = Cl, Br, and I) for optoelectronic and other renewable energy applications
ELSEVIER
Exploring the physical properties of Rb 2 TlSbM 6 (M = Cl, Br) inorganic halide perovskites for solar cell applications: A DFT study
ELSEVIER
2021
New lead-free double perovskites (Rb2GeCl/Br)6; a promising materials for renewable energy applications
MATERIALS CHEMISTRY AND PHYSICS
First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X = Sb, Bi) spinels
JOURNAL OF SOLID STATE CHEMISTRY
Structural, Magnetic, and Dielectric Properties of Sn-Doped BiFeO3: Experiment and DFT Analysis
SPRINGER
2022
Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications
Materials
Half metallic ferroamgnetism, and transport properties of vacancy ordered double perovskites Rb2(Os/Ir)X6 (X = Cl, Br) for spintronic applications
ELSEVIER SCI LTD