The energetics and structure of rutile TiO2(110)
Journal article, 2006
ULTRASOFT PSEUDOPOTENTIALS
WAVE BASIS-SET
TITANIUM-DIOXIDE
AB-INITIO
MOLECULAR-DYNAMICS
GENERALIZED GRADIENT APPROXIMATION
ADSORPTION
TIO2 110 SURFACE
FIRST-PRINCIPLES CALCULATIONS
TOTAL-ENERGY CALCULATIONS
Author
Adam Kiejna
Tomas Pabiasiak
Shiwu Gao
University of Gothenburg
JOURNAL OF PHYSICS-CONDENSED MATTER
Vol. 18 (17) 4207-4217
Subject Categories
Other Physics Topics
Condensed Matter Physics