First-principles study on the electronic structure and catalytic properties of two-dimensional MX2N4 systems (M = Ti, Zr; X = Si, Ge)

First-principles study on the electronic structure and catalytic properties of two-dimensional MX2N4 systems (M = Ti, Zr; X = Si, Ge)

Recently, the two-dimensional MA2Z4 family with a seven-atom layer structure (experimentally synthesized a MoSi2N4 monolayer), which has good stability and exhibits semiconductivity, providing a platform for photocatalytic hydrolysis studies of two-dimensional polyatomic layer materials. In this wor...

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Bibliographic Details
Main Authors: Yi Wang, Guang Wang, Mengya Huang, Zhengli Zhang, Jihong Wang, Ding Zhao, Xiang Guo, Xuefei Liu
Format: Article
Language:English
Published: Elsevier 2023-09-01
Series:Results in Physics
Subjects:
MX2N4
Electronic structure
Photocatalytic performance
2D Materials
Biaxial strain
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379723006137

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http://www.sciencedirect.com/science/article/pii/S2211379723006137

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