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Chem. Chem. Phys."],"abstract":"<jats:p>\n                    B-doped ZrS\n                    <jats:sub>2<\/jats:sub>\n                    monolayer senses VOCs (CH\n                    <jats:sub>2<\/jats:sub>\n                    O, CH\n                    <jats:sub>3<\/jats:sub>\n                    OH, CH\n                    <jats:sub>3<\/jats:sub>\n                    CHO) with high sensitivity at room temperature. N\n                    <jats:sub>2<\/jats:sub>\n                    , CO\n                    <jats:sub>2<\/jats:sub>\n                    , and H\n                    <jats:sub>2<\/jats:sub>\n                    O cause negligible interference, but O\n                    <jats:sub>2<\/jats:sub>\n                    competes strongly.\n                  <\/jats:p>","DOI":"10.1039\/d5cp03083h","type":"journal-article","created":{"date-parts":[[2025,10,2]],"date-time":"2025-10-02T13:03:27Z","timestamp":1759410207000},"page":"22809-22819","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":27,"title":["A boron-doped ZrS\n                    <sub>2<\/sub>\n                    monolayer as a promising gas sensing material for the detection of volatile organic compounds: a DFT study"],"prefix":"10.1039","volume":"27","author":[{"given":"Xiao-Qian","family":"Lin","sequence":"first","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"},{"name":"Fujian College of Chemistry, University of Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"},{"name":"College of Chemistry, Fuzhou University, Fuzhou, Fujian, 350116, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhen-Hong","family":"Han","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"},{"name":"Fujian College of Chemistry, University of Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"},{"name":"University of Chinese Academy of Sciences, Beijing, 100049, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0659-1804","authenticated-orcid":false,"given":"Xin","family":"Zhang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jin-Xia","family":"Yang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1064-1974","authenticated-orcid":false,"given":"Yuan-Gen","family":"Yao","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"},{"name":"Fujian College of Chemistry, University of Chinese Academy of Sciences, Fuzhou, Fujian, 350002, People's Republic of China"},{"name":"College of Chemistry, Fuzhou University, Fuzhou, Fujian, 350116, People's Republic of China"},{"name":"University of Chinese Academy of Sciences, Beijing, 100049, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP03083H\/cit1\/1","doi-asserted-by":"crossref","first-page":"45059","DOI":"10.1021\/acsomega.4c05405","volume":"9","author":"Qin","year":"2024","journal-title":"ACS Omega"},{"key":"D5CP03083H\/cit2\/1","doi-asserted-by":"crossref","first-page":"29315","DOI":"10.1039\/D3CP03081D","volume":"25","author":"Qin","year":"2023","journal-title":"Phys. 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