Emerging Versatile Two‐Dimensional MoSi2N4 Family

Y Yin, Q Gong, M Yi, W Guo - Advanced Functional Materials, 2023 - Wiley Online Library
The discovery of 2D layered MoSi2N4 and WSi2N4 without knowing their 3D parents by
chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA2Z4 system …

Electronic Transport Properties and Nanodevice Designs for Monolayer

Y Gao, J Liao, H Wang, Y Wu, Y Li, K Wang, C Ma… - Physical Review …, 2022 - APS
A family of MA 2 Z 4 materials has recently inspired great interest due to its exotic geometry
and intriguing electronic properties. Here we investigate the electronic transport and …

Discovery of Efficient Visible‐light Driven Oxygen Evolution Photocatalysts: Automated High‐Throughput Computational Screening of MA2Z4

C Lin, X Feng, D Legut, X Liu, ZW Seh… - Advanced Functional …, 2022 - Wiley Online Library
Photocatalytic oxygen evolution reaction (OER) by 2D semiconductors is a promising
strategy for efficient energy conversion. The newly discovered 2D semiconductors MA2Z4 …

Two-Dimensional Type-II BP/MoSi2P4 vdW Heterostructures for High-Performance Solar Cells

Y Guo, J Min, X Cai, L Zhang, C Liu… - The Journal of Physical …, 2022 - ACS Publications
Designing van der Waals (vdW) heterostructures has been considered to be a promising
strategy for fabricating high-performance nanosized optoelectronic devices. Based on the …

TBPLaS: A tight-binding package for large-scale simulation

Y Li, Z Zhan, X Kuang, Y Li, S Yuan - Computer Physics Communications, 2023 - Elsevier
TBPLaS is an open-source software package for the accurate simulation of physical systems
with arbitrary geometry and dimensionality utilizing the tight-binding (TB) theory. It has an …

Electronic and Excitonic Properties of MSi2Z4 Monolayers

T Woźniak, PE Faria Junior, MS Ramzan, AB Kuc - Small, 2023 - Wiley Online Library
MA2Z4 monolayers form a new class of hexagonal non‐centrosymmetric materials hosting
extraordinary spin‐valley physics. While only two compounds (MoSi2N4 and WSi2N4) are …

Density Functional Theory Studies of van der Waals Heterostructures Comprised of MoSi2P4 and BAs Monolayers for Solar Cell Applications

NB Singh, R Mondal, J Deb, D Paul… - ACS Applied Nano …, 2024 - ACS Publications
Two-dimensional van der Waals heterostructures (vdW-HSs) have emerged as a promising
method for designing high-performance nanoscale optoelectronic devices such as solar …

Biaxial strain modulated electronic structures of layered two-dimensional MoSiGeN 4 Rashba systems

P Li, X Wang, H Wang, Q Tian, J Xu, L Yu… - Physical Chemistry …, 2024 - pubs.rsc.org
The two-dimensional (2D) MA2Z4 family has received extensive attention in manipulating its
electronic structure and achieving intriguing physical properties. However, engineering the …

Simulation Studies on Robust Contacts in V2CT2/MoSi2N4 (T═O, F, OH) van der Waals Heterojunction Nanostructures: Implications for Optoelectronic Devices

X He, Z Gao, Z Zhang, K Xiong… - ACS Applied Nano …, 2023 - ACS Publications
Research on metal electrode–semiconductor contacts has primarily focused on adjusting
the Schottky barrier height (SBH), with little attention paid to the stability of electronic …

Controllable Schottky barriers and contact types of BN intercalation layers in graphene/MoSi 2 As 4 vdW heterostructures via applying an external electrical field

Y Guo, Y Dong, X Cai, L Liu, Y Jia - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Graphene-based van der Waals (vdW) heterostructures have opened unprecedented
opportunities for various device applications due to their rich functionalities and novel …