ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2026
Integrating Machine Learning With Constant-Potential Simulation to Unravel Charge-Transfer Mechanisms in Electrochemical Nitrogen Fixation.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao
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In one paragraphArticle in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Yufei XueMOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics, School of Physics, Xi'an Jiaotong University, Xi'an, Shaanxi, China.ORCID https://orcid.org/0009-0009-9728-9624 Yuefei ZhangMOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics, School of Physics, Xi'an Jiaotong University, Xi'an, Shaanxi, China.
Yang ZhangMOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics, School of Physics, Xi'an Jiaotong University, Xi'an, Shaanxi, China.ORCID https://orcid.org/0000-0002-2132-0148 Aijun DuSchool of Chemistry and Physics and Centre for Material Science, Faculty of Science, Gardens Point Campus, Queensland University of Technology, Brisbane, Queensland, Australia.ORCID https://orcid.org/0000-0002-3369-3283 Guoping GaoMOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics, School of Physics, Xi'an Jiaotong University, Xi'an, Shaanxi, China.ORCID https://orcid.org/0000-0002-6106-7423 Funding
National Natural Science Foundation of China 22303063Natural Science Fundamental Research Program of Shaanxi Province of China 2025JC-YBMS-009Shaanxi Fundamental Science Research Project for Mathematics and Physics 23JSQ010
6 · The paper itselfAbstract
The electrochemical nitrogen reduction reaction (NRR) offers a sustainable approach to ammonia (NH
Indexed as
density functional theoryelectrochemical nitrogen reduction reactionmachine learningsingle‐atom catalysts
Identifiers
PMID41824644
PMCPMC13325948
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