First-principles theory of surface thermodynamics and kinetics

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dc.identifier.uri Stampfl, C. Kreuzer, H.J. Payne, S.H. Pfnür, Herbert Scheffler, M. 2018-02-19T14:57:14Z 2018-02-19T14:57:14Z 1999
dc.identifier.citation Stampfl, C.; Kreuzer, H.J.; Payne, S.H.; Pfnür, H.; Scheffler, M.: First-principles theory of surface thermodynamics and kinetics. In: Physical Review Letters 83 (1999), Nr. 15, S. 2993-2996. DOI:
dc.description.abstract Understanding the complex behavior of particles at surfaces requires detailed knowledge of both macroscopic and microscopic processes that take place; also certain phenomena depend critically on temperature and gas pressure. To link these processes we combine state-of-the-art microscopic, and macroscopic phenomenological, theories. We apply our theory to the O/Ru(0001) system and calculate thermal desorption spectra, heat of adsorption, and the surface phase diagram. The agreement with experiment provides validity for our approach which thus identifies the way for a predictive simulation of surface thermodynamics and kinetics. 1999 © The American Physical Society. eng
dc.language.iso eng
dc.publisher College Park, MD : American Physical Society
dc.relation.ispartofseries Physical Review Letters 83 (1999), Nr. 15
dc.rights Es gilt deutsches Urheberrecht. Das Dokument darf zum eigenen Gebrauch kostenfrei genutzt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden.
dc.subject gas-surface interface eng
dc.subject oxygen eng
dc.subject.ddc 530 | Physik ger
dc.title First-principles theory of surface thermodynamics and kinetics
dc.type article
dc.type Text
dc.relation.issn 00319007
dc.bibliographicCitation.issue 15
dc.bibliographicCitation.volume 83
dc.bibliographicCitation.firstPage 2993
dc.bibliographicCitation.lastPage 2996
dc.description.version publishedVersion
tib.accessRights frei zug�nglich

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