{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,24]],"date-time":"2026-07-24T10:08:52Z","timestamp":1784887732596,"version":"3.55.0"},"reference-count":108,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2026,5,10]],"date-time":"2026-05-10T00:00:00Z","timestamp":1778371200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,5,10]],"date-time":"2026-05-10T00:00:00Z","timestamp":1778371200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemSusChem"],"published-print":{"date-parts":[[2026,5,14]]},"abstract":"<jats:p>\n                    Electrochemical carbon dioxide (CO\n                    <jats:sub>2<\/jats:sub>\n                    ) and carbon monoxide (CO) reduction reactions (CO\n                    <jats:sub>(2)<\/jats:sub>\n                    RR) are promising routes for carbon utilization. Previous work unraveled Al\u2013Cu single\u2010atom alloys to be thermodynamically favorable for CO\n                    <jats:sub>2<\/jats:sub>\n                    RR. Here, we explore the kinetics of acidic CO\n                    <jats:sub>(2)<\/jats:sub>\n                    RR to C\n                    <jats:sub>1<\/jats:sub>\n                    products on Al\u2013Cu(111)\/(211) using first principles. We consider pathways involving CHO, COH, and HCOO intermediates. Ab initio molecular dynamics simulations provide insights into catalyst stability and interfacial water structure. Microkinetic modeling elucidates potential\u2010 and pH\u2010dependent selectivity trends on Al\u2013Cu(111), indicating that H\n                    <jats:sub>2<\/jats:sub>\n                    evolution is suppressed. For CO\n                    <jats:sub>2<\/jats:sub>\n                    reduction, HCOOH dominates across potentials and pH , with hydrogen evolution competing at pH 0. In contrast, CO reduction yields higher current densities, with CH\n                    <jats:sub>3<\/jats:sub>\n                    OH prevailing at pH . The CHO pathway exhibits a high activation barrier for CH\n                    <jats:sub>4<\/jats:sub>\n                    due to protonation\/deoxygenation of CH\n                    <jats:sub>3<\/jats:sub>\n                    O, leading instead to CH\n                    <jats:sub>3<\/jats:sub>\n                    OH. The COH pathway, though less thermodynamically favored, shows kinetic superiority, with COH dehydroxylation as the rate\u2010determining step (RDS) for CH\n                    <jats:sub>4<\/jats:sub>\n                    formation. This RDS, when analyzed over the stepped Al\u2013Cu(211), has a lower barrier by 0.62\u2009eV. These results highlight the influence of reactant species, electrochemical conditions, and material faceting on catalytic performance, offering insights into tuning selectivity for desired C\n                    <jats:sub>1<\/jats:sub>\n                    products.\n                  <\/jats:p>","DOI":"10.1002\/cssc.202501817","type":"journal-article","created":{"date-parts":[[2026,5,11]],"date-time":"2026-05-11T06:52:52Z","timestamp":1778482372000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Hydrocarbon Selectivity in CO and CO\n                    <sub>2<\/sub>\n                    Reduction on Al\u2013Cu Single\u2010Atom Alloy Electrocatalysts: Effects of Potential, pH, and Facet"],"prefix":"10.1002","volume":"19","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3784-5923","authenticated-orcid":false,"given":"Shivam","family":"Chaturvedi","sequence":"first","affiliation":[{"name":"Department of Chemical Engineering Indian Institute of Science  Bengaluru Karnataka India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4007-3434","authenticated-orcid":false,"given":"Abhijit","family":"Gogoi","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering Indian Institute of Science  Bengaluru Karnataka India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2462-0506","authenticated-orcid":false,"given":"Ananth","family":"Govind Rajan","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering Indian Institute of Science  Bengaluru Karnataka India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,5,10]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.202202345"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202116396"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202200802"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202113002"},{"key":"e_1_2_10_6_1","first-page":"E6111","article-title":"Thermodynamic and Achievable Efficiencies for Solar\u2010driven Electrochemical Reduction of Carbon Dioxide to Transportation Fuel","volume":"112","author":"Singh M. 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