{"paper":{"title":"Does H2O improve the catalytic activity of Au1-4/MgO towards CO oxidation?","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atm-clus"],"primary_cat":"cond-mat.mes-hall","authors_text":"Martin Amft, Natalia V. Skorodumova","submitted_at":"2011-08-23T18:37:39Z","abstract_excerpt":"The present density functional theory study addresses the question whether the presence of H2O influences the catalytic activity of small gold clusters, Au1-4/MgO(100), towards the oxidation of carbon monoxide. To this end, we studied the (co-)adsorption of H2O and CO/O2 on these gold clusters. The ground state structures in the presence of all three molecular species, that we found, are Au1O2/MgO and Au2-4CO/MgO with H2O adsorbed on the surface in the proximity of the clusters-molecule complex. In this configuration the catalytic activity of Au1-4/MgO is indifferent to the presence of H2O. We"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1108.4669","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}