7 papers · 1 filter
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…
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…
Enhanced UV Photodetector Efficiency with a ZnO/GaO Heterojunction
Shashi Pandey, Swaroop Ganguly, Alok Shukla +1
Heterostructures comprising uncoated ZnO and coated with thin layers of GaO were produced using spin-coating and subsequent hydrothermal processing. X-ray diffraction exami…
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).…
Characterization of Silicon Carbide Biphenylene Network through G0W0-BSE Calculations
Arushi Singh, Vikram Mahamiya, Alok Shukla
Two-dimensional silicon carbide stands out among 2D materials, primarily due to its notable band gap, unlike its carbon-based counterparts. However, the binary nature and non-layer…
Enhanced hydrogen evolution reaction activity of nitrogen deficient quantum dot
Khushboo Dange, Vaishali Roondhe, Alok Shukla
The present study investigates the catalytic performance of a quantum dot aimed at enhancing electrochemical water splitting, using the first-principles density fun…