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Chem. Chem. Phys."],"abstract":"<jats:p>\n                    In\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>3<\/jats:sub>\n                    is a promising catalyst for CO\n                    <jats:sub>2<\/jats:sub>\n                    -to-methanol conversion, although with limited efficiency due to poor H\n                    <jats:sub>2<\/jats:sub>\n                    activation. Here, first-row transition metal doping is computationally studied to assess possible effects on its catalytic performance.\n                  <\/jats:p>","DOI":"10.1039\/d5cp04556h","type":"journal-article","created":{"date-parts":[[2026,1,6]],"date-time":"2026-01-06T07:41:04Z","timestamp":1767685264000},"page":"2725-2733","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Computational insights into the structural and electronic properties of first-row transition metal-doped In\n                    <sub>2<\/sub>\n                    O\n                    <sub>3<\/sub>\n                    systems"],"prefix":"10.1039","volume":"28","author":[{"given":"Ling","family":"Meng","sequence":"first","affiliation":[{"name":"Departament de Ci\u00e8ncia de Materials i Qu\u00edmica F\u00edsica & Institut de Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Universitat de Barcelona, c\/Mart\u00ed i Franqu\u00e8s 1-11, 08028, Barcelona, Spain"},{"name":"State Key Laboratory of Chemical Resource Engineering, Beijing Engineering Center for Hierarchical Catalysts, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9987-8654","authenticated-orcid":false,"given":"Francesc","family":"Vi\u00f1es","sequence":"additional","affiliation":[{"name":"Departament de Ci\u00e8ncia de Materials i Qu\u00edmica F\u00edsica & Institut de Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Universitat de Barcelona, c\/Mart\u00ed i Franqu\u00e8s 1-11, 08028, Barcelona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2104-6123","authenticated-orcid":false,"given":"Francesc","family":"Illas","sequence":"additional","affiliation":[{"name":"Departament de Ci\u00e8ncia de Materials i Qu\u00edmica F\u00edsica & Institut de Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Universitat de Barcelona, c\/Mart\u00ed i Franqu\u00e8s 1-11, 08028, Barcelona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D5CP04556H\/cit1\/1","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1126\/science.1140746","volume":"317","author":"Wentz","year":"2007","journal-title":"Science"},{"key":"D5CP04556H\/cit2\/1","doi-asserted-by":"crossref","first-page":"746","DOI":"10.1038\/s41558-021-01127-1","volume":"11","author":"Tebaldi","year":"2021","journal-title":"Nat. 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