Two-Dimensional GeC/MXY (M = Zr, Hf; X, Y = S, Se) Heterojunctions Used as Highly Efficient Overall Water-Splitting Photocatalysts-Reference-Cited by-同舟云学术

Two-Dimensional GeC/MXY (M = Zr, Hf; X, Y = S, Se) Heterojunctions Used as Highly Efficient Overall Water-Splitting Photocatalysts

Published:2024-06-12 Issue:12 Volume:29 Page:2793
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Wang Guangzhao¹^ORCID,Xie Wenjie¹,Guo Sandong²,Chang Junli³,Chen Ying⁴,Long Xiaojiang¹,Zhou Liujiang⁵,Ang Yee Sin⁶^ORCID,Yuan Hongkuan³^ORCID

Affiliation:

1. School of Electronic Information Engineering, Key Laboratory of Extraordinary Bond Engineering and Advanced Materials Technology of Chongqing, Yangtze Normal University, Chongqing 408100, China

2. School of Electronic Engineering, Xi’an University of Posts and Telecommunications, Xi’an 710121, China

3. School of Physical Science and Technology, Southwest University, Chongqing 400715, China

4. School of Electronic and Information Engineering, Anshun University, Anshun 561000, China

5. School of Physics, University of Electronic Science and Technology of China, Chengdu 610054, China

6. Science, Mathematics and Technology, Singapore University of Technology and Design, Singapore 487372, Singapore

Abstract

Hydrogen generation by photocatalytic water-splitting holds great promise for addressing the serious global energy and environmental crises, and has recently received significant attention from researchers. In this work, a method of assembling GeC/MXY (M = Zr, Hf; X, Y = S, Se) heterojunctions (HJs) by combining GeC and MXY monolayers (MLs) to construct direct Z-scheme photocatalytic systems is proposed. Based on first-principles calculations, we found that all the GeC/MXY HJs are stable van der Waals (vdW) HJs with indirect bandgaps. These HJs possess small bandgaps and exhibit strong light-absorption ability across a wide range. Furthermore, the built-in electric field (BIEF) around the heterointerface can accelerate photoinduced carrier separation. More interestingly, the suitable band edges of GeC/MXY HJs ensure sufficient kinetic potential to spontaneously accomplish water redox reactions under light irradiation. Overall, the strong light-harvesting ability, wide light-absorption range, small bandgaps, large heterointerfacial BIEFs, suitable band alignments, and carrier migration paths render GeC/MXY HJs highly efficient photocatalysts for overall water decomposition.

Funder

National Natural Science Foundation of China

GHfund B

Science and Technology Research Program of Chongqing Municipal Education Commission

China Postdoctoral Science Foundation

Chongqing Municipal Human Resources and Social Security Bureau

Publisher

MDPI AG

Link

https://www.mdpi.com/1420-3049/29/12/2793/pdf

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