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Title: Step- vs. kink-formation energies on Pt(111)

Abstract

Ab-initio kink-formation energies are about 0.25 and 0.18 eV on the (100)- and (111)-microfacet steps of Pt(111), while the sum of the step-formation energies is 0.75 eV/atom. These results imply a specific ratio of formation energies for the two step types, namely 1.14, in excellent agreement with experiment. If kink-formation costs the same energy on the two step types, an inference recently drawn from scanning probe observations of step wandering, this ratio ought to be 1.

Authors:
Publication Date:
Research Org.:
Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
755583
Report Number(s):
SAND2000-1095J
TRN: AH200021%%32
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article
Journal Name:
Surface Science Letters
Additional Journal Information:
Other Information: Submitted to Surface Science Letters; PBD: 1 May 2000
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; PLATINUM; FORMATION FREE ENERGY; CALCULATION METHODS; SURFACE PROPERTIES; CRYSTAL STRUCTURE; SURFACE STRUCTURE: MORPHOLOGY: DENSITY FUNCTIONAL CALCULATIONS: PLATINUM

Citation Formats

FEIBELMAN,PETER J. Step- vs. kink-formation energies on Pt(111). United States: N. p., 2000. Web. doi:10.1016/S0039-6028(00)00633-6.
FEIBELMAN,PETER J. Step- vs. kink-formation energies on Pt(111). United States. doi:10.1016/S0039-6028(00)00633-6.
FEIBELMAN,PETER J. Mon . "Step- vs. kink-formation energies on Pt(111)". United States. doi:10.1016/S0039-6028(00)00633-6. https://www.osti.gov/servlets/purl/755583.
@article{osti_755583,
title = {Step- vs. kink-formation energies on Pt(111)},
author = {FEIBELMAN,PETER J.},
abstractNote = {Ab-initio kink-formation energies are about 0.25 and 0.18 eV on the (100)- and (111)-microfacet steps of Pt(111), while the sum of the step-formation energies is 0.75 eV/atom. These results imply a specific ratio of formation energies for the two step types, namely 1.14, in excellent agreement with experiment. If kink-formation costs the same energy on the two step types, an inference recently drawn from scanning probe observations of step wandering, this ratio ought to be 1.},
doi = {10.1016/S0039-6028(00)00633-6},
journal = {Surface Science Letters},
number = ,
volume = ,
place = {United States},
year = {2000},
month = {5}
}