DC Field | Value | Language |
---|---|---|
dc.contributor.author | Shin, Kihyun | ko |
dc.contributor.author | Kim, Da-Hye | ko |
dc.contributor.author | Yeo, Sang-Chul | ko |
dc.contributor.author | Lee, Hyuck-Mo | ko |
dc.date.accessioned | 2013-03-12T03:16:34Z | - |
dc.date.available | 2013-03-12T03:16:34Z | - |
dc.date.created | 2012-05-31 | - |
dc.date.created | 2012-05-31 | - |
dc.date.issued | 2012-05 | - |
dc.identifier.citation | CATALYSIS TODAY, v.185, no.1, pp.94 - 98 | - |
dc.identifier.issn | 0920-5861 | - |
dc.identifier.uri | http://hdl.handle.net/10203/101176 | - |
dc.description.abstract | Density functional theory (DFT) calculations confirm the structural stability of isomers for 13-atom Ag, Cu, and AgCu nanoparticles. Ag-13 and Cu-13 nanoparticles have a different stable structure because of the quantum effect and differences in surface energy. We systematically studied the oxygen reduction reaction (ORR) of Ag-13, Cu-13, Ag12Cu1 (core-shell) and Ag12Cu1 (alloy) nanoparticles by investigating the adsorption property of O-2 and the transition state calculations of O-2 dissociation, which determine the ORR rate. An Ag alloy with Cu has the high adsorption energy and a low energy barrier. It also exhibits the high structural stability during the reaction. (C) 2011 Elsevier B.V. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.subject | GOLD CATALYSTS | - |
dc.subject | SELECTIVE HYDROGENATION | - |
dc.subject | OXYGEN-REDUCTION | - |
dc.subject | CO OXIDATION | - |
dc.subject | CLUSTERS | - |
dc.subject | SURFACE | - |
dc.subject | PD | - |
dc.subject | NANOCLUSTERS | - |
dc.subject | ACETYLENE | - |
dc.subject | ELECTROCATALYSTS | - |
dc.title | Structural stability of AgCu bimetallic nanoparticles and their application as a catalyst: A DFT study | - |
dc.type | Article | - |
dc.identifier.wosid | 000303109100014 | - |
dc.identifier.scopusid | 2-s2.0-84860214115 | - |
dc.type.rims | ART | - |
dc.citation.volume | 185 | - |
dc.citation.issue | 1 | - |
dc.citation.beginningpage | 94 | - |
dc.citation.endingpage | 98 | - |
dc.citation.publicationname | CATALYSIS TODAY | - |
dc.identifier.doi | 10.1016/j.cattod.2011.09.022 | - |
dc.contributor.localauthor | Lee, Hyuck-Mo | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article; Proceedings Paper | - |
dc.subject.keywordAuthor | Oxygen reduction reaction | - |
dc.subject.keywordAuthor | AgCu bimetallic nanoparticle | - |
dc.subject.keywordAuthor | Density functional theory | - |
dc.subject.keywordAuthor | Structural stability | - |
dc.subject.keywordPlus | GOLD CATALYSTS | - |
dc.subject.keywordPlus | SELECTIVE HYDROGENATION | - |
dc.subject.keywordPlus | OXYGEN-REDUCTION | - |
dc.subject.keywordPlus | CO OXIDATION | - |
dc.subject.keywordPlus | CLUSTERS | - |
dc.subject.keywordPlus | SURFACE | - |
dc.subject.keywordPlus | PD | - |
dc.subject.keywordPlus | NANOCLUSTERS | - |
dc.subject.keywordPlus | ACETYLENE | - |
dc.subject.keywordPlus | ELECTROCATALYSTS | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.