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However, their poor selectivity towards a target VOC within chemically similar mixtures impedes both qualitative and quantitative accuracy. This arises from the absence of intrinsic chemical criteria for designing selective sensing systems. This research emphasizes the importance of orbital engineering to achieve selectivity in chemiresistive materials. We tailor O 2\n                    <jats:italic>p<\/jats:italic>\n                    \u2010band center (\u03b5\n                    <jats:sub>O\u20112<\/jats:sub>\n                    <jats:italic>\n                      <jats:sub>p<\/jats:sub>\n                    <\/jats:italic>\n                    ) of the model material SnO\n                    <jats:sub>2<\/jats:sub>\n                    , achieving near 100% selectivity towards triethylamine (C\n                    <jats:sub>6<\/jats:sub>\n                    H\n                    <jats:sub>15<\/jats:sub>\n                    N) and exceptional selectivity towards formaldehyde (CH\n                    <jats:sub>2<\/jats:sub>\n                    O), respectively, and maintaining these selectivity performances in gas mixtures. Specifically, tailoring the \u03b5\n                    <jats:sub>O\u20112<\/jats:sub>\n                    <jats:italic>\n                      <jats:sub>p<\/jats:sub>\n                    <\/jats:italic>\n                    enables energy\u2010level matching between O 2\n                    <jats:italic>p<\/jats:italic>\n                    orbitals and frontier molecular orbitals (FMOs) of distinct VOCs gases, thereby inducing selective orbital hybridizations. Such hybridization drives specific adsorption\u2010reaction processes and provides the electron\u2010transfer channel, ultimately triggering the exclusive electrical response. These findings not only unveil the origin of sensing selectivity but also establish a chemical coding strategy for the rational design of exclusive gas sensors based on an orbital\u2010energy\u2010matching framework.\n                  <\/jats:p>","DOI":"10.1002\/anie.202525408","type":"journal-article","created":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T05:54:57Z","timestamp":1770270897000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Orbital\u2010Level Chemical Coding for Exclusive Detection of VOCs Gases in Chemiresistive Sensors"],"prefix":"10.1002","volume":"65","author":[{"given":"Wu","family":"Wang","sequence":"first","affiliation":[{"name":"School of Resources and Environment University of Electronic Science and Technology of China  Chengdu P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Taobo","family":"Huang","sequence":"additional","affiliation":[{"name":"Department of Environmental Science and Engineering Fudan University  Shanghai P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2767-4211","authenticated-orcid":false,"given":"Xiuping","family":"Zhu","sequence":"additional","affiliation":[{"name":"Department of Environmental Science and Engineering Fudan University  Shanghai P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3666-9796","authenticated-orcid":false,"given":"Jieyuan","family":"Li","sequence":"additional","affiliation":[{"name":"Research Center for Carbon\u2010Neutral Environmental &amp; Energy Technology Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China  Chengdu P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4543-3603","authenticated-orcid":false,"given":"Yanjuan","family":"Sun","sequence":"additional","affiliation":[{"name":"School of Resources and Environment University of Electronic Science and Technology of China  Chengdu P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2890-9964","authenticated-orcid":false,"given":"Fan","family":"Dong","sequence":"additional","affiliation":[{"name":"School of Resources and Environment University of Electronic Science and Technology of China  Chengdu P. R. China"},{"name":"Research Center for Carbon\u2010Neutral Environmental &amp; Energy Technology Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China  Chengdu P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,2,4]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.8b00408"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.6b04415"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.3c10841"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.7b01356"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.adk6856"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.1c10827"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/acssensors.2c00639"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/acssensors.6b00829"},{"key":"e_1_2_7_10_1","first-page":"1938","article-title":"Metal\u2010Organic Frameworks for Chemiresistive Sensors","volume":"5","author":"Koo 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