On the platinum-oxide formation under gas-phase and electrochemical conditions

被引:10
作者
Farkas, Attila [1 ]
Fantauzzi, Donato [1 ,2 ,4 ]
Mueller, Jonathan E. [1 ,2 ,4 ]
Zhu, Tianwei [1 ]
Papp, Christian [3 ]
Steinrueck, Hans-Peter [3 ]
Jacob, Timo [1 ,2 ,4 ]
机构
[1] Ulm Univ, Inst Electrochem, Albert Einstein Allee 47, D-89081 Ulm, Germany
[2] Helmholtz Inst Ulm HIU Electrochem Energy Storage, Helmholtzstr 11, D-89081 Ulm, Germany
[3] Univ Erlangen Nurnberg, Inst Phys Chem 2, Egerlandstr 3, D-91058 Erlangen, Germany
[4] KIT, POB 3640, D-76021 Karlsruhe, Germany
基金
欧洲研究理事会;
关键词
Multi-scale modeling; Quantum-mechanics; Density functional theory; ab initio thermodynamics; Reactive molecular dynamics; XPS; Near ambient-pressure XPS; Core-level shifts; TPD; Catalysis; Electrocatalysis; Platinum; Surface oxides; Nanoparticles; Stepped surfaces; RAY PHOTOELECTRON-SPECTROSCOPY; SELECTIVE IN-SITU; AMBIENT-PRESSURE; MOLECULAR-BEAM; SURFACE OXIDES; CO ADSORPTION; ATOMIC OXYGEN; OXIDATION; PT(111); DESORPTION;
D O I
10.1016/j.elspec.2017.06.005
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
We summarize our recent results on the oxidation of platinum surfaces, stressing the close connection between theory and experiment. The present theoretical approach is based on ab-initio quantum mechanics methods, such as density functional theory (DFT), ab-initio atomistic thermodynamics, Monte-Carlo methods and reactive molecular dynamics (RMD). Experimentally, photoelectron spectroscopy (XPS) under UHV and in-situ conditions (NAP-XPS) provides most of the discussed results. The oxidation of an extended variety of platinum surfaces is reviewed, starting from atomically flat Pt(111) over stepped surfaces to regularly shaped nanoparticles, under conditions ranging from UHV through ambient pressures up to electrochemical interfaces. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:44 / 57
页数:14
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