4 papers · 1 filter
Strain-Driven Electronic and Catalytic Modulation of g-C3N4/GeS van der Waals heterostructure for Photocatalytic Water Splitting
Soumendra Kumar Das, Smruti Ranjan Parida, Tapas Kumbhakar +2
Photocatalytic water splitting offers a viable pathway for sustainable hydrogen production. In this study, first-principles density functional theory calculations were performed to…
First Principles study of Photocatalytic Water Splitting in BO Monolayer: Effect of Strain and Surface Functionalization
Soumendra Kumar Das, Smruti Ranjan Parida, Prasanjit Samal +2
Light element based two dimensional (2D) materials are promising photocatalysts for hydrogen production via water splitting. Boron oxide (BO) is a recently synthesized 2D monolayer…
Unraveling the Surface Stability and Chemical Reactivity of Aza-Triphenylene Monolayer under O and HO Exposure
Soumendra Kumar Das, Prasanjit Samal, Brahmananda Chakraborty +1
Environmental oxidation has a great impact in tuning the physical, chemical and electronic properties of two-dimensional (2D) monolayers which can affect their practical applicatio…
Unveiling the Reactivity of Oxygen and Ozone on C2N Monolayer: A First-Principles Study
Soumendra Kumar Das, Lokanath Patra, Prasanjit Samal +1
The process of environmental oxidation is pivotal in determining the physical and chemical properties of two-dimensional (2D) materials. Its impact holds great significance for the…