METHOD FOR IMPROVING PHOTOCATALYTIC PERFORMANCE OF SINGLE-LAYER GASE - YANGTZE DELTA REGION INSTITUTE OF UNIV OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA HUZHOU

Title:

METHOD FOR IMPROVING PHOTOCATALYTIC PERFORMANCE OF SINGLE-LAYER GASE

Document Type and Number:

WIPO Patent Application WO/2024/036799

Kind Code:

A1

Abstract:

The present application relates to the technical field of photocatalysis, and particularly relates to a method for improving the photocatalytic performance of single-layer GaSe. The method comprises: S1, optimizing single-layer gallium selenide, involving: firstly, obtaining a crystal structure of two-dimensional GaSe by using a crystal structure of bulk gallium selenide, then performing high-precision structural optimization on the single-layer GaSe, and finally calculating basic properties of the single-layer GaSe; S2, constructing a plurality of heterogeneous structures, involving: selecting another material, which forms heterojunctions, to repeat the above operations, wherein two single-layer two-dimensional materials are stacked together by using MS software to form the heterojunctions; and S3, selecting a heterojunction, involving: performing high-precision structural optimization on different heterojunctions, calculating binding energy of the heterojunctions, selecting the heterojunction with the lowest binding energy for subsequent research, and performing higher-precision structural optimization on the selected heterojunction; S4, calculating parameters related to the heterojunction; and S5, applying biaxial strain, and then calculating the light absorption of the heterojunction. The method can improve the oxidation-reduction capability of electron holes and the photocatalysis efficiency can be improved.

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Inventors:

GE CHUANPENG (CN)
DENG HONGXIANG (CN)
ZU XIAOTAO (CN)

Application Number:

PCT/CN2022/132930

Publication Date:

February 22, 2024

Filing Date:

November 18, 2022

Export Citation:

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Assignee:

YANGTZE DELTA REGION INSTITUTE OF UNIV OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA HUZHOU (CN)

International Classes:

B01J27/057; G06F30/20

Domestic Patent References:

WO2000062331A2

2000-10-19

Foreign References:

CN112447269A	2021-03-05
CN113984852A	2022-01-28
CN114864713A	2022-08-05
US20170216810A1	2017-08-03
JPH0527283A	1993-02-05

Attorney, Agent or Firm:

SCIHEAD IP LAW FIRM (CN)

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