Synergistic effect of mechanical stimuli and defects on the catalytic activity of Janus transition metal dichalcogenides for hydrogen evolution reaction: an explicit first-principles study
Our extensive first-principles calculations and ab initio molecular dynamics simulations highlight the role of mechanical stimuli in designing Janus-TMD-based catalysts and modulating their catalytic capability by combining with defect engineering.
Authors
- Wanlin Guo (ORCID: https://orcid.org/0000-0002-2302-8044)
- Yufeng Guo (ORCID: https://orcid.org/0000-0002-8378-7288)
- Zhen Qi (ORCID: https://orcid.org/0000-0002-6482-0839)
- Xu Jing (ORCID: https://orcid.org/0000-0003-2110-8902)
Institutions
- Nanjing University of Aeronautics and Astronautics (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ta05808b
- Primary Topic
- Chalcogenide Semiconductor Thin Films
- Type
- article
- Field-Weighted Citation Impact
- 0.00