Innovative 2D materials for efficient photocatalysis: A comparative study for WSi2N4, WGe2N4, and their janus counterpart WSiGeN4 monolayers
In pursuit of environmentally friendly and effective photocatalytic materials for water splitting,
this research paper presents a thorough evaluation of WSi 2 N 4, WGe 2 N 4, and their …
this research paper presents a thorough evaluation of WSi 2 N 4, WGe 2 N 4, and their …
Theoretical Exploration of PtSSe/ZrS2 Van der Waals Heterostructure for Solar Energy Conversion
In this work, the Solar energy conversion ability of van der Waals heterostructure (vWH)
PtSSe/ZrS 2 has been investigated by employing the density functional theory. The most …
PtSSe/ZrS 2 has been investigated by employing the density functional theory. The most …
Strain Engineering of ScYCCl2 MXene Monolayer and Intercalation of Metal-ions on MXene Surface: A DFT Study
The present work theoretically examines the influence of bi-axial strain on functionalized
ScYCCl 2 monolayer. The indirect to direct band gap transition on tensile conditions and the …
ScYCCl 2 monolayer. The indirect to direct band gap transition on tensile conditions and the …
Superconductivity in monolayer Janus titanium-sulfur hydride (TiSH) at ambient pressure
U Pinsook - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
Janus two dimensional (2D) materials are new and novel materials. As they break out-of-
plane symmetry, they possess several fascinating properties which can be applied in …
plane symmetry, they possess several fascinating properties which can be applied in …
Dimensionality dependence study of Co-B based co-catalyst over g− C 3 N 4 towards photocatalytic activity
The metal-semiconductor heterostructure has gained interest in the photocatalytic
community due to the necessity of comprehending charge dynamics at the interface and the …
community due to the necessity of comprehending charge dynamics at the interface and the …
A DFT investigation of metal-ions intercalated Y2N MXene as an anode of metal-ion batteries
The present study investigates the Yttrium-based nitride MXene monolayer Y2N for its
suitability as a high-performance electrode (anode) in metal-ion batteries (MIBs). The metal …
suitability as a high-performance electrode (anode) in metal-ion batteries (MIBs). The metal …
A first principle study of structural and optoelectronic properties of monolayer PdPtX4 (X= Se, Te)
In this study, we have used first-principles calculations to investigate the structural and
optoelectronic properties of a monolayer PdPtX 4 (X= Se, Te). Monolayer PdPtX 4 (X= Se …
optoelectronic properties of a monolayer PdPtX 4 (X= Se, Te). Monolayer PdPtX 4 (X= Se …
Hydrogen storage on alkali metal functionalized GaAlS2 monolayer
The hydrogen storage capacity of the GaAlS2 monolayer has been examined in this
research work based on first principles investigation. The GaAlS2 monolayer is an indirect …
research work based on first principles investigation. The GaAlS2 monolayer is an indirect …
Strain-induced Type-I to Type-II transition in Janus ZrIBr/MgClBr heterostructure: a DFT study
First-principles calculation is employed to investigate the band alignment, and the strain
modulated optoelectronic properties in the Janus ZrIBr/MgClBr heterostructure (HS) within …
modulated optoelectronic properties in the Janus ZrIBr/MgClBr heterostructure (HS) within …
A First principles investigation for structural and optoelectronic properties of oxygen functionalized ScBiS3 monolayer
In the present research work, structural, electronic, and optical properties of oxygen
functionalized 2D ScBiS3 monolayer have been carried out by using the first principles …
functionalized 2D ScBiS3 monolayer have been carried out by using the first principles …