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Chem. Chem. Phys."],"abstract":"<jats:p>\n                    A series of V\n                    <jats:sub>T<\/jats:sub>\n                    -M\n                    <jats:sub>2<\/jats:sub>\n                    CT\n                    <jats:sub>2<\/jats:sub>\n                    (T = O, S, Cl, and Br) were systematically explored as efficient electrocatalysts for N\n                    <jats:sub>2<\/jats:sub>\n                    reduction using theoretical calculations. The V\n                    <jats:sub>Br<\/jats:sub>\n                    -Ti\n                    <jats:sub>2<\/jats:sub>\n                    CBr\n                    <jats:sub>2<\/jats:sub>\n                    exhibits high activity for the ENRR by free energy and microkinetic analysis.\n                  <\/jats:p>","DOI":"10.1039\/d6cp01769j","type":"journal-article","created":{"date-parts":[[2026,7,20]],"date-time":"2026-07-20T14:24:19Z","timestamp":1784557459000},"page":"19227-19235","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Defect-driven MXenes for enhanced electrocatalytic nitrogen reduction: a first-principles and microkinetic study"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-9675-2920","authenticated-orcid":false,"given":"Rong","family":"Chen","sequence":"first","affiliation":[{"name":"School of Chemistry and Materials Science, East China University of Technology, Nanchang 330013, Jiangxi, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"JunTao","family":"Jia","sequence":"additional","affiliation":[{"name":"School of Chemistry and Materials Science, East China University of Technology, Nanchang 330013, Jiangxi, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"HongBin","family":"Sun","sequence":"additional","affiliation":[{"name":"School of Chemistry and Materials Science, East China University of Technology, Nanchang 330013, Jiangxi, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"ShunQiong","family":"You","sequence":"additional","affiliation":[{"name":"School of Chemistry and Materials Science, East China University of Technology, Nanchang 330013, Jiangxi, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin","family":"Peng","sequence":"additional","affiliation":[{"name":"School of Chemistry and Materials Science, East China University of Technology, Nanchang 330013, Jiangxi, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bin","family":"Huang","sequence":"additional","affiliation":[{"name":"School of Chemistry and Materials Science, East China University of Technology, Nanchang 330013, Jiangxi, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9633-6702","authenticated-orcid":false,"given":"Neng","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Hubei, 430070, China"},{"name":"Hubei Longzhong Laboratory, Xiangyang 441000, China"},{"name":"Key Laboratory of Plateau Oxygen and Living Environment of Xizang Autonomous Region, College of Science, Xizang University, Lhasa 850000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP01769J\/cit1\/1","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1038\/s41929-019-0252-4","volume":"2","author":"Suryanto","year":"2019","journal-title":"Nat. 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