File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Reaction pathways derived from DFT for understanding catalytic decomposition of formic acid into hydrogen on noble metals

TitleReaction pathways derived from DFT for understanding catalytic decomposition of formic acid into hydrogen on noble metals
Authors
KeywordsAcid decomposition
Aqueous phasis
Bimetallic catalysts
Catalytic decomposition
Co-free hydrogen
Issue Date2012
PublisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/ijhydene
Citation
International Journal of Hydrogen Energy, 2012, v. 37 n. 21, p. 15956-15965 How to Cite?
Abstract
Formic acid decomposition on noble metals is considered to be a potential method to produce CO-free hydrogen at near ambient temperatures. However, the reaction mechanism, as well as the key points, for HCOOH decomposition on noble metals in aqueous solution remains unclear at microscopic level. In the present work, we employed density functional theory (DFT) calculation to investigate HCOOH decomposition in gas and aqueous phases on four common noble metals (Pt, Pd, Rh, and Au). Based on the present theoretical calculation results and experimental results being available in literature, two reaction pathways were proposed to understand gas- and aqueous-phase HCOOH decomposition on the noble metals. The key points that determine the activities of the metals toward HCOOH decomposition into CO 2 and H 2 in aqueous solution are clarified. Furthermore, the proposed reaction mechanism can be well extended to interpret the excellent activity of Ag-Pd core-shell bimetallic catalyst for HCOOH decomposition in aqueous solution. It is expected the present reaction mechanisms would enable us to rationally design more active heterogeneous catalysts for HCOOH decomposition into CO-free H 2 at relatively low temperatures. Copyright © 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/163816
ISSN
2013 Impact Factor: 2.930
2013 SCImago Journal Rankings: 1.338
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorHu, Cen_US
dc.contributor.authorTing, SWen_US
dc.contributor.authorChan, KYen_US
dc.contributor.authorHuang, Wen_US
dc.date.accessioned2012-09-20T07:52:05Z-
dc.date.available2012-09-20T07:52:05Z-
dc.date.issued2012en_US
dc.identifier.citationInternational Journal of Hydrogen Energy, 2012, v. 37 n. 21, p. 15956-15965en_US
dc.identifier.issn0360-3199-
dc.identifier.urihttp://hdl.handle.net/10722/163816-
dc.description.abstractFormic acid decomposition on noble metals is considered to be a potential method to produce CO-free hydrogen at near ambient temperatures. However, the reaction mechanism, as well as the key points, for HCOOH decomposition on noble metals in aqueous solution remains unclear at microscopic level. In the present work, we employed density functional theory (DFT) calculation to investigate HCOOH decomposition in gas and aqueous phases on four common noble metals (Pt, Pd, Rh, and Au). Based on the present theoretical calculation results and experimental results being available in literature, two reaction pathways were proposed to understand gas- and aqueous-phase HCOOH decomposition on the noble metals. The key points that determine the activities of the metals toward HCOOH decomposition into CO 2 and H 2 in aqueous solution are clarified. Furthermore, the proposed reaction mechanism can be well extended to interpret the excellent activity of Ag-Pd core-shell bimetallic catalyst for HCOOH decomposition in aqueous solution. It is expected the present reaction mechanisms would enable us to rationally design more active heterogeneous catalysts for HCOOH decomposition into CO-free H 2 at relatively low temperatures. Copyright © 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.-
dc.languageengen_US
dc.publisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/ijhydene-
dc.relation.ispartofInternational Journal of Hydrogen Energyen_US
dc.subjectAcid decomposition-
dc.subjectAqueous phasis-
dc.subjectBimetallic catalysts-
dc.subjectCatalytic decomposition-
dc.subjectCo-free hydrogen-
dc.titleReaction pathways derived from DFT for understanding catalytic decomposition of formic acid into hydrogen on noble metalsen_US
dc.typeArticleen_US
dc.identifier.emailHu, C: cqhu@hku.hken_US
dc.identifier.emailTing, SW: h0360803@hkusua.hku.hken_US
dc.identifier.emailChan, KY: hrsccky@hku.hken_US
dc.identifier.authorityChan, GKY=rp00662en_US
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/j.ijhydene.2012.08.035-
dc.identifier.scopuseid_2-s2.0-84867400339-
dc.identifier.hkuros210634en_US
dc.identifier.volume37-
dc.identifier.issue21-
dc.identifier.spage15956-
dc.identifier.epage15965-
dc.identifier.isiWOS:000311196800014-
dc.publisher.placeUnited Kingdom-
dc.identifier.citeulike11494576-

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats