Two-dimensional Pt@g-C3N4/ReS2 Van Der Waals Heterostructure for photocatalytic hydrogen evolution with direct Z-scheme

被引：1

作者：

Wang, Hong-Yao ^{[1
]}

Yang, Chuan-Lu ^{[1
,2
]}

Li, Xiaohu ^{[2
,3
,4
]}

Liu, Yuliang ^{[1
]}

Zhao, Wenkai ^{[1
]}

Gao, Feng ^{[5
]}

机构：

[1] Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China

[2] Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China

[3] Xinjiang Key Lab Radio Astrophys, Urumqi 830011, Xinjiang, Peoples R China

[4] Chinese Acad Sci, Key Lab Radio Astron & Technol, Beijing 100101, Peoples R China

[5] Southern Univ & A&M Coll, Dept Phys, Baton Rouge, LA 70813 USA

来源：

CHEMICAL PHYSICS LETTERS | 2025年 / 870卷

基金：

中国国家自然科学基金;

关键词：

Heterostructure; Photocatalytic; Direct Z -scheme; Solar-to-hydrogen; Gibbs free energy; TOTAL-ENERGY CALCULATIONS; VISIBLE-LIGHT; CHARGE SEPARATION; EFFICIENT; HETEROJUNCTION; DYNAMICS; G-C3N4;

D O I：

10.1016/j.cplett.2025.142101

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

To overcome the limitations of the Pt@g-C3N4 monolayer in driving the oxygen evolution reaction (OER), we construct a photocatalytic Z-scheme with Pt@g-C3N4/ReS2 heterojunction. Band edge arrangement satisfies the requirements for hydrogen evolution reaction (HER) and OER, with a solar-to-hydrogen efficiency of 15.31 %. Nonadiabatic molecular dynamics simulation indicates that the reduction and oxidation activities of OER and HER can be efficiently protected. The Gibbs free energies indicate that the heterostructure can spontaneously drive HER, while OER requires a cocatalyst or sacrificial agent. These findings demonstrate the potential of Pt@g-C3N4/ReS2 heterojunctions as promising candidates for photocatalytic water splitting applications.

引用

页数：7

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