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Due to limited evidence from in situ experiments, mechanistic studies are often performed in the framework of density functional theory (DFT), using functionals at the generalized gradient approximation (GGA) level, which have fundamental difficulties to correctly describe CO adsorption and surface stability. We employ the adiabatic connection fluctuation dissipation theorem within the random phase approximation (RPA), in combination with the linearized Poisson\u2013Boltzmann equation to describe solvation effects, to investigate the mechanism of CO<jats:sub>2<\/jats:sub>RR on the Cu(100) facet. Qualitatively different from the DFT\u2010GGA results, RPA results propose the formation of *OCCHO as the potential determining step towards C<jats:sub>2<\/jats:sub> products. The results suggest that it is important to use more accurate methods like RPA when modeling reactions involving multiple CO\u2010related species like CO<jats:sub>2<\/jats:sub>RR.<\/jats:p>","DOI":"10.1002\/anie.202210060","type":"journal-article","created":{"date-parts":[[2022,8,10]],"date-time":"2022-08-10T01:58:40Z","timestamp":1660096720000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":27,"title":["Improving the Accuracy of Modelling CO<sub>2<\/sub> Electroreduction on Copper Using Many\u2010Body Perturbation Theory"],"prefix":"10.1002","volume":"61","author":[{"given":"Ziyang","family":"Wei","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California  Los Angeles CA, 90095 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