Non-innocent Dissociation of HO on GaP(110): Implications for Electrochemical Reduction of CO.
The structural and electronic properties of the GaP(110)/HO interface have been investigated by first-principles density functional theory calculations. Our results suggest that hydride-like H atoms are present on the surface as a consequence of the dissociation of water in contact with the GaP surf...
| Publicado en: | Journal of the American Chemical Society Vol. 134; no. 33; pp. 13600 - 13604 |
|---|---|
| Autores principales: | , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
8/22/2012
|
| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=79469113&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 79469113 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 8/22/2012 vid: 134 iid: 33 pid: 997 pub: American Chemical Society artinfo: ui: 79469113 10.1021/ja3063106 ppf: 13600 ppct: 4 formats: tig: atl: Non-innocent Dissociation of HO on GaP(110): Implications for Electrochemical Reduction of CO. aug: au: Muñoz-García, Ana B. Carter, Emily A. affil: Department of Chemical Sciences, University of Naples Federico II, Via Cintia, 80126 Naples, Italy Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544-5263, United States Program in Applied and Computational Mathematics and the Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263, United States su: Electrolytic reduction Dissociation (Chemistry) Hydrogen analysis Density functionals Carbon dioxide sug: subj: Electrolytic reduction Dissociation (Chemistry) Hydrogen analysis Density functionals Carbon dioxide ab: The structural and electronic properties of the GaP(110)/HO interface have been investigated by first-principles density functional theory calculations. Our results suggest that hydride-like H atoms are present on the surface as a consequence of the dissociation of water in contact with the GaP surface. This feature opens up a new feasible reduction pathway for CO where the GaP(110) surface is the electrochemically active entity. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2012 holdings: @attributes: islocal: N |
|---|