First-Principles Design of Janus ABSe <sub>3</sub> Monolayers for NO-to-NH <sub>3</sub> Electrocatalysis
also demonstrates high selectivity over the hydrogen evolution reaction and strong resistance to hydroxyl poisoning, thereby ensuring high Faradaic efficiency. An intrinsic built-in electric field, directed from the V-side to the Hf-side with a potential difference of 0.22 eV, further enhances electron transfer and NORR kinetics. This study expands the family of Janus 2D materials and provides fundamental insights and design principles for developing high-performance NORR electrocatalysts.
Authors
- Kesong Yang (ORCID: https://orcid.org/0000-0002-9691-0636)
- Shuli Liu (ORCID: https://orcid.org/0000-0002-5170-5313)
- Yuxing Shen
- Lin Ju
- Chen Long
- Weibo Sang
- Chengyuan Xing
Institutions
- University of California San Diego (US)
- Anyang Normal University (CN)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2026-04-01
- DOI
- https://doi.org/10.1021/acs.inorgchem.6c00803
- Primary Topic
- Ammonia Synthesis and Nitrogen Reduction
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Henan Province
- Anyang Normal University
- American Chemical Society Petroleum Research Fund
- Science and Technology Innovation Talents in Universities of Henan Province