Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals

Physical Review Letters

Volumn 115, Issue 3, 2015, Pages

  Liu, Wei ^a,e   Maaß, Friedrich ^b   Willenbockel, Martin ^c   Bronner, Christopher ^b   Schulze, Michael ^b   Soubatch, Serguei ^c   Tautz, F Stefan ^c,d   Tegeder, Petra ^b   Tkatchenko, Alexandre ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b UNIVERSITY OF HEIDELBERG   (Germany)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

^d Section JARA FIT   (Germany)

^e NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BENZENE; BENZENE REFINING; CALCULATIONS; CATALYSIS; COINAGE; ELECTRONIC PROPERTIES; LIGHT EMITTING DIODES; MINTS; MOLECULES; SILVER;

AROMATIC MOLECULES; EXCHANGE AND CORRELATION EFFECTS; EXPERIMENTAL BENCHMARKS; EXPERIMENTAL ERRORS; FIRST-PRINCIPLES CALCULATION; MOLECULAR ADSORPTION; QUANTITATIVE PREDICTION; X-RAY STANDING WAVES;

BINDING ENERGY;

EID: 84937841185     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.115.036104     Document Type: Article

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