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Phys."],"abstract":"<jats:p>\n                    Computational insight into the reaction mechanism for reactive sorption of H\n                    <jats:sub>2<\/jats:sub>\n                    S on CuO (111) and (1\u030411) surfaces, demonstrating reactivity for H\n                    <jats:sub>2<\/jats:sub>\n                    S dissociation and H\n                    <jats:sub>2<\/jats:sub>\n                    O formation at room temperature.\n                  <\/jats:p>","DOI":"10.1039\/d5cp03246f","type":"journal-article","created":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T06:01:27Z","timestamp":1759816887000},"page":"22954-22963","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["On the mechanism of reactive sorption of H\n                    <sub>2<\/sub>\n                    S on CuO (111) and (1\u030411) surfaces: a first-principles study"],"prefix":"10.1039","volume":"27","author":[{"given":"David","family":"Jiang","sequence":"first","affiliation":[{"name":"Chemical and Biomolecular Engineering Department, University of California Los Angeles, Los Angeles, CA 90095, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicole","family":"Chiang","sequence":"additional","affiliation":[{"name":"Chemical and Biomolecular Engineering Department, University of California Los Angeles, Los Angeles, CA 90095, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tirso","family":"L\u00f3pez-Ausens","sequence":"additional","affiliation":[{"name":"Chemical and Biomolecular Engineering Department, University of California Los Angeles, Los Angeles, CA 90095, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8444-3348","authenticated-orcid":false,"given":"Philippe","family":"Sautet","sequence":"additional","affiliation":[{"name":"Chemical and Biomolecular Engineering Department, University of California Los Angeles, Los Angeles, CA 90095, USA"},{"name":"Department of Chemistry and Biochemistry, University of California Los Angeles, Los Angeles, CA, 90095, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP03246F\/cit1\/1","doi-asserted-by":"crossref","first-page":"4667","DOI":"10.1021\/acs.energyfuels.5b00952","volume":"29","author":"Goodwin","year":"2015","journal-title":"Energy Fuels"},{"key":"D5CP03246F\/cit2\/1","doi-asserted-by":"crossref","first-page":"25","DOI":"10.3109\/10408448409029321","volume":"13","author":"Beauchamp","year":"1984","journal-title":"Crit. 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