{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Meng Z"],"funding":["Danmarks Grundforskningsfond","European Research Council","Danmarks Frie Forskningsfond"],"pagination":["e202500247"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12447119"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["26(17)"],"pubmed_abstract":["Formic acid (HCOOH) electroreduction is poorly studied, even though it holds promise for energy conversion and storage applications. We use density functional theory to investigate the most likely products after four HCOOH electroreduction steps on Cu(111), Au(111), Ag(111), Zn(111), Pt(111), Pd(111), and Ru(111). On Cu(111), the formation of H<sub>2</sub>, CO (and/or CO-derived C<sub>2</sub> products), CH<sub>3</sub>OH, and CH<sub>4</sub> is thermodynamically allowed. The Cu(111) surface has low selectivity because HCOOH reduction intermediates can adsorb via both O and C atoms. Experimentally, formic acid reduction on Cu produces H<sub>2</sub>, C<sub>2</sub> products, and CH<sub>3</sub>OH, but very little CH<sub>4</sub>. Interestingly, CO/CO<sub>2</sub> reduction on Cu produces CH<sub>4<"],"journal":["Chemphyschem : a European journal of chemical physics and physical chemistry"],"pubmed_title":["Formic Acid Electroreduction Pathways on (111) Metal Surfaces."],"pmcid":["PMC12447119"],"funding_grant_id":["1127-00372B","DNRF149","101118768"],"pubmed_authors":["Rossmeisl J","Meng Z","Kristoffersen HH"],"additional_accession":[]},"is_claimable":false,"name":"Formic Acid Electroreduction Pathways on (111) Metal Surfaces.","description":"Formic acid (HCOOH) electroreduction is poorly studied, even though it holds promise for energy conversion and storage applications. We use density functional theory to investigate the most likely products after four HCOOH electroreduction steps on Cu(111), Au(111), Ag(111), Zn(111), Pt(111), Pd(111), and Ru(111). On Cu(111), the formation of H<sub>2</sub>, CO (and/or CO-derived C<sub>2</sub> products), CH<sub>3</sub>OH, and CH<sub>4</sub> is thermodynamically allowed. The Cu(111) surface has low selectivity because HCOOH reduction intermediates can adsorb via both O and C atoms. Experimentally, formic acid reduction on Cu produces H<sub>2</sub>, C<sub>2</sub> products, and CH<sub>3</sub>OH, but very little CH<sub>4</sub>. Interestingly, CO/CO<sub>2</sub> reduction on Cu produces CH<sub>4<","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-03T15:01:04.157Z","creation":"2026-04-28T03:11:33.441Z"},"accession":"S-EPMC12447119","cross_references":{"pubmed":["40682249"],"doi":["10.1002/cphc.202500247"]}}