AustralieFrV1, PascalFrancis, Corpus, bibRecord, 001152

Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation

Identifieur interne : 001152 ( PascalFrancis/Corpus ); précédent : 001151; suivant : 001153

Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation

Auteurs : Marc T. M. Koper

Source :

Electrochimica acta [ 0013-4686 ] ; 2011.

RBID : Pascal:12-0325112

Descripteurs français

Pascal (Inist)
- Voltammétrie cyclique, Electrode, Etude comparative, Méthode fonctionnelle densité, Etude théorique, Ultravide, Platinoïde, Dissociation, Double couche électrochimique, Solution aqueuse, Orientation cristalline, Monocristal, Solution acide, Acide perchlorique, Interface électrode électrolyte, Distribution potentiel.

English descriptors

KwdEn :
- Acidic solution, Aqueous solution, Comparative study, Crystal orientation, Cyclic voltammetry, Density functional method, Dissociation, Electrochemical double layer, Electrode electrolyte interface, Electrodes, Perchloric acid, Platinoid, Potential distribution, Single crystal, Theoretical study, Ultrahigh vacuum.

Abstract

This paper discusses the relationship between the blank voltammetry of various hexagonally close-packed transition-metal electrodes, and DFT calculations of the binding energy of H, OH and 0 as well as UHV experiments on the dissociation of water on the same surfaces. The binding energies of H, OH and 0 can be used to predict the "phase diagram" of the electrode surface including the potentials of the transition between different surface states. The width of the voltammetric peaks corresponding to these transitions can be used to estimate the effective lateral interactions between the adsorbates involved, where effectively attractive interactions may often be explained by a replacement reaction. The detailed comparison shows that only for Pt(111) and Pd(111) the existence of a "double-layer region" is fully consistent with the available experimental and computational data. The Ru(0 001) surface does not have a double-layer region, but is covered with residues of water dissociation at every potential. The situation is unclear for Rh(111) and Ir(111) electrodes, for which a double-layer region has been claimed in the literature, but in both cases the claims are (at least partially) inconsistent with theoretical predictions.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

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A06				`@2 28`
A08	`01`	`1`	`ENG`	`@1 Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation`
A09	`01`	`1`	`ENG`	`@1 Electrochemistry from Biology to Physics`
A11	`01`	`1`		`@1 KOPER (Marc T. M.)`
A12	`01`	`1`		`@1 BERGEL (A.) @9 ed.`
A12	`02`	`1`		`@1 BOND (A. M.) @9 ed.`
A12	`03`	`1`		`@1 BRANKOVIC (S.) @9 ed.`
A12	`04`	`1`		`@1 BULTEL (Y.) @9 ed.`
A12	`05`	`1`		`@1 DI QUARTO (F.) @9 ed.`
A12	`06`	`1`		`@1 GORTON (L.) @9 ed.`
A12	`07`	`1`		`@1 INZELT (G.) @9 ed.`
A12	`08`	`1`		`@1 LAPICQUE (F.) @9 ed.`
A12	`09`	`1`		`@1 LISDAT (F.) @9 ed.`
A12	`10`	`1`		`@1 OPALLO (M.) @9 ed.`
A12	`11`	`1`		`@1 SAVINOVA (E. R.) @9 ed.`
A12	`12`	`1`		`@1 TOH (C.S.) @9 ed.`
A12	`13`	`1`		`@1 TSIRLINA (G. A.) @9 ed.`
A12	`14`	`1`		`@1 VIVIER (V.) @9 ed.`
A12	`15`	`1`		`@1 WINTER (M.) @9 ed.`
A14	`01`			`@1 Leiden Institute of Chemistry, Leiden University, PO Box 9502 @2 2300 RA Leiden @3 NLD @Z 1 aut.`
A15	`01`			`@1 CNRS @2 Toulouse @3 FRA @Z 1 aut.`
A15	`02`			`@1 Monash University @2 Clayton, Vic. @3 AUS @Z 2 aut.`
A15	`03`			`@1 University of Houston @2 Houston, TX @3 USA @Z 3 aut.`
A15	`04`			`@1 LEPMI @2 Grenoble @3 FRA @Z 4 aut.`
A15	`05`			`@1 University of Palermo @3 ITA @Z 5 aut.`
A15	`06`			`@1 Lund University @3 SWE @Z 6 aut.`
A15	`07`			`@1 Eotvos Lorand University @2 Budapest @3 HUN @Z 7 aut.`
A15	`08`			`@1 CNRS @2 Nancy @3 FRA @Z 8 aut.`
A15	`09`			`@1 Wildau University @3 DEU @Z 9 aut.`
A15	`10`			`@1 Polish Academy of Sciences @2 Warsaw @3 POL @Z 10 aut.`
A15	`11`			`@1 Université de Strasbourg @3 FRA @Z 11 aut.`
A15	`12`			`@1 Nanyang Technological University @3 SGP @Z 12 aut.`
A15	`13`			`@1 Moscow State University @3 RUS @Z 13 aut.`
A15	`14`			`@1 Université Pierre et Marie Curie @2 Paris @3 FRA @Z 14 aut.`
A15	`15`			`@1 University of Münster @3 DEU @Z 15 aut.`
A18	`01`	`1`		`@1 International Society of Electrochemistry (ISE) @2 1004 Lausanne @3 CHE @9 org-cong.`
A20				`@1 10645-10651`
A21				`@1 2011`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 1516 @5 354000505919820420`
A44				`@0 0000 @1 © 2012 INIST-CNRS. All rights reserved.`
A45				`@0 47 ref.`
A47	`01`	`1`		`@0 12-0325112`
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A64	`01`	`1`		`@0 Electrochimica acta`
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C01	`01`		`ENG`	@0 This paper discusses the relationship between the blank voltammetry of various hexagonally close-packed transition-metal electrodes, and DFT calculations of the binding energy of H, OH and 0 as well as UHV experiments on the dissociation of water on the same surfaces. The binding energies of H, OH and 0 can be used to predict the "phase diagram" of the electrode surface including the potentials of the transition between different surface states. The width of the voltammetric peaks corresponding to these transitions can be used to estimate the effective lateral interactions between the adsorbates involved, where effectively attractive interactions may often be explained by a replacement reaction. The detailed comparison shows that only for Pt(111) and Pd(111) the existence of a "double-layer region" is fully consistent with the available experimental and computational data. The Ru(0 001) surface does not have a double-layer region, but is covered with residues of water dissociation at every potential. The situation is unclear for Rh(111) and Ir(111) electrodes, for which a double-layer region has been claimed in the literature, but in both cases the claims are (at least partially) inconsistent with theoretical predictions.
C02	`01`	`X`		`@0 001C01H04D`
C03	`01`	`X`	`FRE`	`@0 Voltammétrie cyclique @5 01`
C03	`01`	`X`	`ENG`	`@0 Cyclic voltammetry @5 01`
C03	`01`	`X`	`SPA`	`@0 Voltametría cíclica @5 01`
C03	`02`	`X`	`FRE`	`@0 Electrode @5 03`
C03	`02`	`X`	`ENG`	`@0 Electrodes @5 03`
C03	`02`	`X`	`SPA`	`@0 Electrodo @5 03`
C03	`03`	`X`	`FRE`	`@0 Etude comparative @5 04`
C03	`03`	`X`	`ENG`	`@0 Comparative study @5 04`
C03	`03`	`X`	`SPA`	`@0 Estudio comparativo @5 04`
C03	`04`	`3`	`FRE`	`@0 Méthode fonctionnelle densité @5 05`
C03	`04`	`3`	`ENG`	`@0 Density functional method @5 05`
C03	`05`	`X`	`FRE`	`@0 Etude théorique @5 06`
C03	`05`	`X`	`ENG`	`@0 Theoretical study @5 06`
C03	`05`	`X`	`SPA`	`@0 Estudio teórico @5 06`
C03	`06`	`X`	`FRE`	`@0 Ultravide @5 07`
C03	`06`	`X`	`ENG`	`@0 Ultrahigh vacuum @5 07`
C03	`06`	`X`	`SPA`	`@0 Ultravacío @5 07`
C03	`07`	`X`	`FRE`	`@0 Platinoïde @2 NC @5 08`
C03	`07`	`X`	`ENG`	`@0 Platinoid @2 NC @5 08`
C03	`07`	`X`	`SPA`	`@0 Platinoide @2 NC @5 08`
C03	`08`	`X`	`FRE`	`@0 Dissociation @5 09`
C03	`08`	`X`	`ENG`	`@0 Dissociation @5 09`
C03	`08`	`X`	`SPA`	`@0 Disociación @5 09`
C03	`09`	`X`	`FRE`	`@0 Double couche électrochimique @5 10`
C03	`09`	`X`	`ENG`	`@0 Electrochemical double layer @5 10`
C03	`09`	`X`	`SPA`	`@0 Doble capa electroquímica @5 10`
C03	`10`	`X`	`FRE`	`@0 Solution aqueuse @5 11`
C03	`10`	`X`	`ENG`	`@0 Aqueous solution @5 11`
C03	`10`	`X`	`SPA`	`@0 Solución acuosa @5 11`
C03	`11`	`X`	`FRE`	`@0 Orientation cristalline @5 12`
C03	`11`	`X`	`ENG`	`@0 Crystal orientation @5 12`
C03	`11`	`X`	`SPA`	`@0 Orientación cristalina @5 12`
C03	`12`	`X`	`FRE`	`@0 Monocristal @5 13`
C03	`12`	`X`	`ENG`	`@0 Single crystal @5 13`
C03	`12`	`X`	`SPA`	`@0 Monocristal @5 13`
C03	`13`	`X`	`FRE`	`@0 Solution acide @5 14`
C03	`13`	`X`	`ENG`	`@0 Acidic solution @5 14`
C03	`13`	`X`	`SPA`	`@0 Solución ácida @5 14`
C03	`14`	`X`	`FRE`	`@0 Acide perchlorique @2 NK @5 15`
C03	`14`	`X`	`ENG`	`@0 Perchloric acid @2 NK @5 15`
C03	`14`	`X`	`SPA`	`@0 Perclórico ácido @2 NK @5 15`
C03	`15`	`X`	`FRE`	`@0 Interface électrode électrolyte @5 32`
C03	`15`	`X`	`ENG`	`@0 Electrode electrolyte interface @5 32`
C03	`15`	`X`	`SPA`	`@0 Interfase electrodo electrolito @5 32`
C03	`16`	`X`	`FRE`	`@0 Distribution potentiel @5 33`
C03	`16`	`X`	`ENG`	`@0 Potential distribution @5 33`
C03	`16`	`X`	`SPA`	`@0 Distribución potencial @5 33`
C07	`01`	`X`	`FRE`	`@0 Métal transition @2 NC @5 53`
C07	`01`	`X`	`ENG`	`@0 Transition metal @2 NC @5 53`
C07	`01`	`X`	`SPA`	`@0 Metal transición @2 NC @5 53`
N21				`@1 247`

A30	`01`	`1`	`ENG`	`@1 International Society of Electrochemistry (ISE) Meeting @2 61 @3 Nice FRA @4 2010-09-26`

Format Inist (serveur)

NO :	PASCAL 12-0325112 INIST
ET :	Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation
AU :	KOPER (Marc T. M.); BERGEL (A.); BOND (A. M.); BRANKOVIC (S.); BULTEL (Y.); DI QUARTO (F.); GORTON (L.); INZELT (G.); LAPICQUE (F.); LISDAT (F.); OPALLO (M.); SAVINOVA (E. R.); TOH (C.S.); TSIRLINA (G. A.); VIVIER (V.); WINTER (M.)
AF :	Leiden Institute of Chemistry, Leiden University, PO Box 9502/2300 RA Leiden/Pays-Bas (1 aut.); CNRS/Toulouse/France (1 aut.); Monash University/Clayton, Vic./Australie (2 aut.); University of Houston/Houston, TX/Etats-Unis (3 aut.); LEPMI/Grenoble/France (4 aut.); University of Palermo/Italie (5 aut.); Lund University/Suède (6 aut.); Eotvos Lorand University/Budapest/Hongrie (7 aut.); CNRS/Nancy/France (8 aut.); Wildau University/Allemagne (9 aut.); Polish Academy of Sciences/Warsaw/Pologne (10 aut.); Université de Strasbourg/France (11 aut.); Nanyang Technological University/Singapour (12 aut.); Moscow State University/Russie (13 aut.); Université Pierre et Marie Curie/Paris/France (14 aut.); University of Münster/Allemagne (15 aut.)
DT :	Publication en série; Congrès; Niveau analytique
SO :	Electrochimica acta; ISSN 0013-4686; Coden ELCAAV; Royaume-Uni; Da. 2011; Vol. 56; No. 28; Pp. 10645-10651; Bibl. 47 ref.
LA :	Anglais
EA :	This paper discusses the relationship between the blank voltammetry of various hexagonally close-packed transition-metal electrodes, and DFT calculations of the binding energy of H, OH and 0 as well as UHV experiments on the dissociation of water on the same surfaces. The binding energies of H, OH and 0 can be used to predict the "phase diagram" of the electrode surface including the potentials of the transition between different surface states. The width of the voltammetric peaks corresponding to these transitions can be used to estimate the effective lateral interactions between the adsorbates involved, where effectively attractive interactions may often be explained by a replacement reaction. The detailed comparison shows that only for Pt(111) and Pd(111) the existence of a "double-layer region" is fully consistent with the available experimental and computational data. The Ru(0 001) surface does not have a double-layer region, but is covered with residues of water dissociation at every potential. The situation is unclear for Rh(111) and Ir(111) electrodes, for which a double-layer region has been claimed in the literature, but in both cases the claims are (at least partially) inconsistent with theoretical predictions.
CC :	001C01H04D
FD :	Voltammétrie cyclique; Electrode; Etude comparative; Méthode fonctionnelle densité; Etude théorique; Ultravide; Platinoïde; Dissociation; Double couche électrochimique; Solution aqueuse; Orientation cristalline; Monocristal; Solution acide; Acide perchlorique; Interface électrode électrolyte; Distribution potentiel
FG :	Métal transition
ED :	Cyclic voltammetry; Electrodes; Comparative study; Density functional method; Theoretical study; Ultrahigh vacuum; Platinoid; Dissociation; Electrochemical double layer; Aqueous solution; Crystal orientation; Single crystal; Acidic solution; Perchloric acid; Electrode electrolyte interface; Potential distribution
EG :	Transition metal
SD :	Voltametría cíclica; Electrodo; Estudio comparativo; Estudio teórico; Ultravacío; Platinoide; Disociación; Doble capa electroquímica; Solución acuosa; Orientación cristalina; Monocristal; Solución ácida; Perclórico ácido; Interfase electrodo electrolito; Distribución potencial
LO :	INIST-1516.354000505919820420
ID :	12-0325112

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Pascal:12-0325112

Le document en format XML

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<front><div type="abstract" xml:lang="en">This paper discusses the relationship between the blank voltammetry of various hexagonally close-packed transition-metal electrodes, and DFT calculations of the binding energy of H, OH and 0 as well as UHV experiments on the dissociation of water on the same surfaces. The binding energies of H, OH and 0 can be used to predict the "phase diagram" of the electrode surface including the potentials of the transition between different surface states. The width of the voltammetric peaks corresponding to these transitions can be used to estimate the effective lateral interactions between the adsorbates involved, where effectively attractive interactions may often be explained by a replacement reaction. The detailed comparison shows that only for Pt(111) and Pd(111) the existence of a "double-layer region" is fully consistent with the available experimental and computational data. The Ru(0 001) surface does not have a double-layer region, but is covered with residues of water dissociation at every potential. The situation is unclear for Rh(111) and Ir(111) electrodes, for which a double-layer region has been claimed in the literature, but in both cases the claims are (at least partially) inconsistent with theoretical predictions.</div>
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<fA15 i1="01"><s1>CNRS</s1>
<s2>Toulouse</s2>
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<fA15 i1="02"><s1>Monash University</s1>
<s2>Clayton, Vic.</s2>
<s3>AUS</s3>
<sZ>2 aut.</sZ>
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<fA15 i1="03"><s1>University of Houston</s1>
<s2>Houston, TX</s2>
<s3>USA</s3>
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<fA15 i1="04"><s1>LEPMI</s1>
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<fA15 i1="05"><s1>University of Palermo</s1>
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<fA15 i1="06"><s1>Lund University</s1>
<s3>SWE</s3>
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<fA15 i1="07"><s1>Eotvos Lorand University</s1>
<s2>Budapest</s2>
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<fA15 i1="08"><s1>CNRS</s1>
<s2>Nancy</s2>
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<sZ>8 aut.</sZ>
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<fA15 i1="09"><s1>Wildau University</s1>
<s3>DEU</s3>
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<fA15 i1="10"><s1>Polish Academy of Sciences</s1>
<s2>Warsaw</s2>
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<fA15 i1="11"><s1>Université de Strasbourg</s1>
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<fA15 i1="12"><s1>Nanyang Technological University</s1>
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<sZ>12 aut.</sZ>
</fA15>
<fA15 i1="13"><s1>Moscow State University</s1>
<s3>RUS</s3>
<sZ>13 aut.</sZ>
</fA15>
<fA15 i1="14"><s1>Université Pierre et Marie Curie</s1>
<s2>Paris</s2>
<s3>FRA</s3>
<sZ>14 aut.</sZ>
</fA15>
<fA15 i1="15"><s1>University of Münster</s1>
<s3>DEU</s3>
<sZ>15 aut.</sZ>
</fA15>
<fA18 i1="01" i2="1"><s1>International Society of Electrochemistry (ISE)</s1>
<s2>1004 Lausanne</s2>
<s3>CHE</s3>
<s9>org-cong.</s9>
</fA18>
<fA20><s1>10645-10651</s1>
</fA20>
<fA21><s1>2011</s1>
</fA21>
<fA23 i1="01"><s0>ENG</s0>
</fA23>
<fA43 i1="01"><s1>INIST</s1>
<s2>1516</s2>
<s5>354000505919820420</s5>
</fA43>
<fA44><s0>0000</s0>
<s1>© 2012 INIST-CNRS. All rights reserved.</s1>
</fA44>
<fA45><s0>47 ref.</s0>
</fA45>
<fA47 i1="01" i2="1"><s0>12-0325112</s0>
</fA47>
<fA60><s1>P</s1>
<s2>C</s2>
</fA60>
<fA61><s0>A</s0>
</fA61>
<fA64 i1="01" i2="1"><s0>Electrochimica acta</s0>
</fA64>
<fA66 i1="01"><s0>GBR</s0>
</fA66>
<fC01 i1="01" l="ENG"><s0>This paper discusses the relationship between the blank voltammetry of various hexagonally close-packed transition-metal electrodes, and DFT calculations of the binding energy of H, OH and 0 as well as UHV experiments on the dissociation of water on the same surfaces. The binding energies of H, OH and 0 can be used to predict the "phase diagram" of the electrode surface including the potentials of the transition between different surface states. The width of the voltammetric peaks corresponding to these transitions can be used to estimate the effective lateral interactions between the adsorbates involved, where effectively attractive interactions may often be explained by a replacement reaction. The detailed comparison shows that only for Pt(111) and Pd(111) the existence of a "double-layer region" is fully consistent with the available experimental and computational data. The Ru(0 001) surface does not have a double-layer region, but is covered with residues of water dissociation at every potential. The situation is unclear for Rh(111) and Ir(111) electrodes, for which a double-layer region has been claimed in the literature, but in both cases the claims are (at least partially) inconsistent with theoretical predictions.</s0>
</fC01>
<fC02 i1="01" i2="X"><s0>001C01H04D</s0>
</fC02>
<fC03 i1="01" i2="X" l="FRE"><s0>Voltammétrie cyclique</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="ENG"><s0>Cyclic voltammetry</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="SPA"><s0>Voltametría cíclica</s0>
<s5>01</s5>
</fC03>
<fC03 i1="02" i2="X" l="FRE"><s0>Electrode</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="X" l="ENG"><s0>Electrodes</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="X" l="SPA"><s0>Electrodo</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="FRE"><s0>Etude comparative</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="X" l="ENG"><s0>Comparative study</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="X" l="SPA"><s0>Estudio comparativo</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="3" l="FRE"><s0>Méthode fonctionnelle densité</s0>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="3" l="ENG"><s0>Density functional method</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Etude théorique</s0>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="X" l="ENG"><s0>Theoretical study</s0>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="X" l="SPA"><s0>Estudio teórico</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="FRE"><s0>Ultravide</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="X" l="ENG"><s0>Ultrahigh vacuum</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="X" l="SPA"><s0>Ultravacío</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="FRE"><s0>Platinoïde</s0>
<s2>NC</s2>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="X" l="ENG"><s0>Platinoid</s0>
<s2>NC</s2>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="X" l="SPA"><s0>Platinoide</s0>
<s2>NC</s2>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="FRE"><s0>Dissociation</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="X" l="ENG"><s0>Dissociation</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="X" l="SPA"><s0>Disociación</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="X" l="FRE"><s0>Double couche électrochimique</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="X" l="ENG"><s0>Electrochemical double layer</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="X" l="SPA"><s0>Doble capa electroquímica</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Solution aqueuse</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Aqueous solution</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Solución acuosa</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE"><s0>Orientation cristalline</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG"><s0>Crystal orientation</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA"><s0>Orientación cristalina</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Monocristal</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Single crystal</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Monocristal</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="X" l="FRE"><s0>Solution acide</s0>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="X" l="ENG"><s0>Acidic solution</s0>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="X" l="SPA"><s0>Solución ácida</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE"><s0>Acide perchlorique</s0>
<s2>NK</s2>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="ENG"><s0>Perchloric acid</s0>
<s2>NK</s2>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="SPA"><s0>Perclórico ácido</s0>
<s2>NK</s2>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="X" l="FRE"><s0>Interface électrode électrolyte</s0>
<s5>32</s5>
</fC03>
<fC03 i1="15" i2="X" l="ENG"><s0>Electrode electrolyte interface</s0>
<s5>32</s5>
</fC03>
<fC03 i1="15" i2="X" l="SPA"><s0>Interfase electrodo electrolito</s0>
<s5>32</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE"><s0>Distribution potentiel</s0>
<s5>33</s5>
</fC03>
<fC03 i1="16" i2="X" l="ENG"><s0>Potential distribution</s0>
<s5>33</s5>
</fC03>
<fC03 i1="16" i2="X" l="SPA"><s0>Distribución potencial</s0>
<s5>33</s5>
</fC03>
<fC07 i1="01" i2="X" l="FRE"><s0>Métal transition</s0>
<s2>NC</s2>
<s5>53</s5>
</fC07>
<fC07 i1="01" i2="X" l="ENG"><s0>Transition metal</s0>
<s2>NC</s2>
<s5>53</s5>
</fC07>
<fC07 i1="01" i2="X" l="SPA"><s0>Metal transición</s0>
<s2>NC</s2>
<s5>53</s5>
</fC07>
<fN21><s1>247</s1>
</fN21>
</pA>
<pR><fA30 i1="01" i2="1" l="ENG"><s1>International Society of Electrochemistry (ISE) Meeting</s1>
<s2>61</s2>
<s3>Nice FRA</s3>
<s4>2010-09-26</s4>
</fA30>
</pR>
</standard>
<server><NO>PASCAL 12-0325112 INIST</NO>
<ET>Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation</ET>
<AU>KOPER (Marc T. M.); BERGEL (A.); BOND (A. M.); BRANKOVIC (S.); BULTEL (Y.); DI QUARTO (F.); GORTON (L.); INZELT (G.); LAPICQUE (F.); LISDAT (F.); OPALLO (M.); SAVINOVA (E. R.); TOH (C.S.); TSIRLINA (G. A.); VIVIER (V.); WINTER (M.)</AU>
<AF>Leiden Institute of Chemistry, Leiden University, PO Box 9502/2300 RA Leiden/Pays-Bas (1 aut.); CNRS/Toulouse/France (1 aut.); Monash University/Clayton, Vic./Australie (2 aut.); University of Houston/Houston, TX/Etats-Unis (3 aut.); LEPMI/Grenoble/France (4 aut.); University of Palermo/Italie (5 aut.); Lund University/Suède (6 aut.); Eotvos Lorand University/Budapest/Hongrie (7 aut.); CNRS/Nancy/France (8 aut.); Wildau University/Allemagne (9 aut.); Polish Academy of Sciences/Warsaw/Pologne (10 aut.); Université de Strasbourg/France (11 aut.); Nanyang Technological University/Singapour (12 aut.); Moscow State University/Russie (13 aut.); Université Pierre et Marie Curie/Paris/France (14 aut.); University of Münster/Allemagne (15 aut.)</AF>
<DT>Publication en série; Congrès; Niveau analytique</DT>
<SO>Electrochimica acta; ISSN 0013-4686; Coden ELCAAV; Royaume-Uni; Da. 2011; Vol. 56; No. 28; Pp. 10645-10651; Bibl. 47 ref.</SO>
<LA>Anglais</LA>
<EA>This paper discusses the relationship between the blank voltammetry of various hexagonally close-packed transition-metal electrodes, and DFT calculations of the binding energy of H, OH and 0 as well as UHV experiments on the dissociation of water on the same surfaces. The binding energies of H, OH and 0 can be used to predict the "phase diagram" of the electrode surface including the potentials of the transition between different surface states. The width of the voltammetric peaks corresponding to these transitions can be used to estimate the effective lateral interactions between the adsorbates involved, where effectively attractive interactions may often be explained by a replacement reaction. The detailed comparison shows that only for Pt(111) and Pd(111) the existence of a "double-layer region" is fully consistent with the available experimental and computational data. The Ru(0 001) surface does not have a double-layer region, but is covered with residues of water dissociation at every potential. The situation is unclear for Rh(111) and Ir(111) electrodes, for which a double-layer region has been claimed in the literature, but in both cases the claims are (at least partially) inconsistent with theoretical predictions.</EA>
<CC>001C01H04D</CC>
<FD>Voltammétrie cyclique; Electrode; Etude comparative; Méthode fonctionnelle densité; Etude théorique; Ultravide; Platinoïde; Dissociation; Double couche électrochimique; Solution aqueuse; Orientation cristalline; Monocristal; Solution acide; Acide perchlorique; Interface électrode électrolyte; Distribution potentiel</FD>
<FG>Métal transition</FG>
<ED>Cyclic voltammetry; Electrodes; Comparative study; Density functional method; Theoretical study; Ultrahigh vacuum; Platinoid; Dissociation; Electrochemical double layer; Aqueous solution; Crystal orientation; Single crystal; Acidic solution; Perchloric acid; Electrode electrolyte interface; Potential distribution</ED>
<EG>Transition metal</EG>
<SD>Voltametría cíclica; Electrodo; Estudio comparativo; Estudio teórico; Ultravacío; Platinoide; Disociación; Doble capa electroquímica; Solución acuosa; Orientación cristalina; Monocristal; Solución ácida; Perclórico ácido; Interfase electrodo electrolito; Distribución potencial</SD>
<LO>INIST-1516.354000505919820420</LO>
<ID>12-0325112</ID>
</server>
</inist>
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Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation

Blank voltammetry of hexagonal surfaces of Pt-group metal electrodes: Comparison to density functional theory calculations and ultra-high vacuum experiments on water dissociation

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