Abbreviated Journal Title
J. Chem. Phys.
Keywords
OXYGEN-ADSORPTION; SHELL NANOPARTICLES; TRANSITION-METALS; SURFACE; ELECTROCATALYSTS; OXIDATION; PT(111); SPECTROSCOPY; CHEMISTRY; PLATINUM; Physics, Atomic, Molecular & Chemical
Abstract
The nobleness of gold surfaces has been appreciated since long before the beginning of recorded history. Yet, the origin of this phenomenon remains open because the so far existing explanations either incorrectly imply that silver should be the noblest metal or would fail to predict the dissolution of Au in aqua regia. Here, based on our analyses of oxygen adsorption, we advance that bulk gold's unique resistance to oxidation is traced to the large energy cost associated with the perturbation its surfaces undergo upon adsorption of highly electronegative species. This fact is related to the almost totally filled d-band of Au and relativistic effects, but does not imply that the strength of the adsorbate-Au bond is weak. The magnitude of the structural and charge-density perturbation energy upon adsorption of atomic oxygen-which is largest for Au-is assessed from first-principles calculations and confirmed via a multiple regression analysis of the binding energy of oxygen on metal surfaces.
Journal Title
Journal of Chemical Physics
Volume
142
Issue/Number
19
Publication Date
1-1-2015
Document Type
Article
DOI Link
Language
English
First Page
12
WOS Identifier
ISSN
0021-9606
Recommended Citation
Ortigoza, Marisol Alcántara and Stolbov, Sergey, "The perturbation energy: A missing key to understand the "nobleness" of bulk gold" (2015). Faculty Bibliography 2010s. 6734.
https://stars.library.ucf.edu/facultybib2010/6734
Comments
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