Cyclic Voltammograms for H on Pt(111) and Pt(100) from First Principles
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چکیده
منابع مشابه
Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles.
Cyclic voltammetry is a fundamental experimental method for characterizing electrochemical surfaces. Despite its wide use, a way to quantitatively and directly relate cyclic voltammetry to ab initio calculations has been lacking. We derive the cyclic voltammogram for H on Pt(111) and Pt(100), based solely on density functional theory calculations and standard molecular tables. By relating the g...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2007
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.99.126101