Two-dimensional Blue-AsP monolayers with tunable direct band gap and ultrahigh carrier mobility show promising high-performance photovoltaic properties
The successful fabrication of black phosphorene (Black-P) in 2014 and subsequent
synthesis of layered black As1− xPx alloys have inspired research into two-dimensional (2D) …
synthesis of layered black As1− xPx alloys have inspired research into two-dimensional (2D) …
A water splitting photocatalysis: blue phosphorus/g-GeC van der Waals heterostructure
X Gao, Y Shen, Y Ma, S Wu, Z Zhou - Applied Physics Letters, 2019 - pubs.aip.org
A boom of vertical heterostructures (HTSs) with atomically clean interfaces excited the
scientists' enthusiasm in materials science and device engineering. In this letter, we perform …
scientists' enthusiasm in materials science and device engineering. In this letter, we perform …
A promising blue phosphorene/C 2 N van der Waals type-II heterojunction as a solar photocatalyst: a first-principles study
C Li, Y Xu, W Sheng, WJ Yin, GZ Nie… - Physical Chemistry …, 2020 - pubs.rsc.org
An appropriate band structure and effective carrier separation are very important for the
performance of a solar photocatalyst. In this paper, based on first-principles calculations, it …
performance of a solar photocatalyst. In this paper, based on first-principles calculations, it …
Blue phosphorene bilayer is a two-dimensional metal and an unambiguous classification scheme for buckled hexagonal bilayers
High-level first-principles computations predict blue phosphorene bilayer to be a two-
dimensional metal. This structure has not been considered before and was identified by …
dimensional metal. This structure has not been considered before and was identified by …
[HTML][HTML] A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias
Fixed node diffusion quantum Monte Carlo (FN-DMC) is an increasingly used computational
approach for investigating the electronic structure of molecules, solids, and surfaces with …
approach for investigating the electronic structure of molecules, solids, and surfaces with …
Structural Stability of Graphene-Supported Pt Layers: Diffusion Monte Carlo and Density Functional Theory Calculations
In this study, we used a combination of diffusion Monte Carlo and density functional theory
calculations to investigate the stability and interlayer binding of various layered structures of …
calculations to investigate the stability and interlayer binding of various layered structures of …
Superlubricity in phosphorene identified by means of ab initio calculations
G Losi, P Restuccia, MC Righi - 2D Materials, 2020 - iopscience.iop.org
Phosphorene possesses a great potential for tribological applications due to its layered
structure and for the capability of phosphorus to reduce friction and adhesion in steel–steel …
structure and for the capability of phosphorus to reduce friction and adhesion in steel–steel …
Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods
We have used highly accurate quantum Monte Carlo methods to determine the chemical
structure and electronic band gaps of monolayer GeSe. Two-dimensional (2D) monolayer …
structure and electronic band gaps of monolayer GeSe. Two-dimensional (2D) monolayer …
Perspectives on van der Waals Density Functionals: The Case of TiS2
The van der Waals interaction is of foundational importance for a wide variety of physical
systems. In particular, van der Waals forces lie at the heart of potential device technologies …
systems. In particular, van der Waals forces lie at the heart of potential device technologies …
Heteroepitaxial Growth of Black Phosphorus on Tin Monosulfide
Black phosphorus (Black P), a layered semiconductor with a layer-dependent bandgap and
high carrier mobility, is a promising candidate for next-generation electronics and …
high carrier mobility, is a promising candidate for next-generation electronics and …