3 papers
cond-mat.mtrl-sci2026
Strain-Engineered s-CN Monolayer for Efficient Water Splitting: A first-principles study
Khushboo Dange, Alok Shukla
Photocatalytic water splitting offers a sustainable route for solar-to-hydrogen energy conversion, yet identifying stable, metal-free semiconductors with suitable electronic, optic…
cond-mat.mtrl-sci2025
Electric-field induced half-metallicity in a two-dimensional ferromagnetic Janus VSSe bilayer
Khushboo Dange, Shivprasad S. Shastri, Alok Shukla
Two-dimensional (2D) half-metals with intrinsic ferromagnetism hold great potential for applications in spintronics. In this study, we aim to expand the known space of such 2D ferr…
cond-mat.mtrl-sci2025
Two dimensional transition metal dichalcogenide based bilayer heterojunctions for efficient solar cells and photocatalytic applications
Khushboo Dange, Rachana Yogi, Alok Shukla
This work presents a first-principles study of the optoelectronic properties of vertically-stacked bilayer heterostructures composed of 2D transition-metal dichalcogenides (TMDs).…