Ionic Adsorbate Structures on Metal Electrodes Calculated from First-Principles

Erstveröffentlichung
2016
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Wissenschaftlicher Artikel


Authors
Lin, Xiaohang
Gossenberger, Florian
Gross, Axel
Faculties
Fakultät für Naturwissenschaften
Institutions
Institut für Theoretische Chemie
Published in
Industrial and Engineering Chemistry Research ; 55 (2016), 42. - S. 11107-11113. - ISSN 0888-5885
Link to publication
https://dx.doi.org/10.1021/acs.iecr.6b03087
Funding information
Deutsche Forschungsgemeinschaft (DFG) [1503/21-2]
Baden-Württemberg Stiftung
Network of Competence "Functional Nanostruanres". Computer time
Baden-Wurttemberg government (MWK)
Deutsche Forschungsgemeinschaft (DFG)
etc.
Keywords
augmented-wave method; electrochemical environment; chloride adsorption; halide adsorption; pb electrodes; pt(111); surface; hydrogen; water; reduction
Dewey Decimal Group
DDC 540 / Chemistry & allied sciences
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