Residential College | false |
Status | 已發表Published |
Low-energy intralayer phonon assisted carrier recombination in Z-scheme van der Waals heterostructures for photocatalysis | |
Yan, Hejin; Guan, Qiye; Chen, Hongfei; Cui, Xiangyue; Shu, Zheng; Liang, Dan; Wang, Bowen; Cai, Yongqing | |
2022-10-11 | |
Source Publication | Journal of Materials Chemistry A |
ISSN | 2050-7488 |
Volume | 10Issue:44Pages:23744-23750 |
Other Abstract | Establishing the coupling mechanism of hot carriers and phonons is at the heart of nanoelectronics and photocatalysis of vdW heterostructures. Herein, via ab initio simulations, we endeavor to examine the intralayer phononic assisted recombination in a designed Z-scheme vdW heterostructure based on an emerging WSiN material and transition metal dichalcogenides. Through integrating WSiN with MoS (or its isoelectric cousin MoSe), an intralayer phonon assisted electron-hole emission is revealed via nonadiabatic molecular dynamics calculations. Accompanied by weaker intralayer phonon modes, the WSiN/MoS interface shows a weaker nonadiabatic coupling and a longer electron-hole recombination time of up to 9.41 ns than the WSiN/MoSe heterolayer. Moreover, the staggered and appropriate band alignment in WSiN/MoS suggests its promising applications in photocatalysis such as water splitting. By comparing MoS and MoSe, our time-domain simulations suggest that vdW heterostructures with a facile intralayer sliding and softening intralayer phonon would be beneficial for prolonging the lifetime of carriers. |
DOI | 10.1039/d2ta04935j |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Chemistry ; Energy & Fuels ; Materials Science |
WOS Subject | Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary |
WOS ID | WOS:000872128600001 |
Scopus ID | 2-s2.0-85141719690 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Cai, Yongqing |
Affiliation | Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macao |
First Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Recommended Citation GB/T 7714 | Yan, Hejin,Guan, Qiye,Chen, Hongfei,et al. Low-energy intralayer phonon assisted carrier recombination in Z-scheme van der Waals heterostructures for photocatalysis[J]. Journal of Materials Chemistry A, 2022, 10(44), 23744-23750. |
APA | Yan, Hejin., Guan, Qiye., Chen, Hongfei., Cui, Xiangyue., Shu, Zheng., Liang, Dan., Wang, Bowen., & Cai, Yongqing (2022). Low-energy intralayer phonon assisted carrier recombination in Z-scheme van der Waals heterostructures for photocatalysis. Journal of Materials Chemistry A, 10(44), 23744-23750. |
MLA | Yan, Hejin,et al."Low-energy intralayer phonon assisted carrier recombination in Z-scheme van der Waals heterostructures for photocatalysis".Journal of Materials Chemistry A 10.44(2022):23744-23750. |
Files in This Item: | There are no files associated with this item. |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment