The Energy of Hydroxyl Coadsorbed with Water on Pt(111)

被引：43

作者：

Lew, Wanda ^{[1
]}

Crowe, Matthew C. ^{[1
]}

Campbell, Charles T. ^{[1
]}

Carrasco, Javier ^{[2
,3
,4
,5
]}

Michaelides, Angelos ^{[2
,3
]}

机构：

[1] Univ Washington, Dept Chem, Seattle, WA 98195 USA

[2] UCL, London Ctr Nanotechnol, London WC1E 6BT, England

[3] UCL, Dept Chem, London WC1E 6BT, England

[4] Fritz Haber Inst Max Planck Gesell, D-14195 Berlin, Germany

[5] CSIC, Inst Catalisis & Petr Quim, E-28049 Madrid, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2011年 / 115卷 / 46期

基金：

英国工程与自然科学研究理事会;

关键词：

OXYGEN-COVERED PT(111); PLATINUM SURFACES; ADSORPTION; INTERMEDIATE; CALORIMETRY; OVERLAYER; OXIDATION; MECHANISM; HYDROGEN; SIMS;

D O I：

10.1021/jp207350r

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Adsorbed OH is a key intermediate in many catalytic reactions and a common species on many materials' surfaces. We report here measurements of the calorimetric heats for forming the widely studied and structurally well-defined coadsorbed (H2O center dot center dot center dot OH) complex on Pt(111) from water vapor and adsorbed oxygen adatoms. We further use these heats as benchmarks to evaluate the performance of density functional theory, modified to include van der Waals interactions and zero-point energies, and find agreement to within 1 and 15 kJ/mol for the two adlayer structures studied.

引用

页码：23008 / 23012

页数：5

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