Article ID Journal Published Year Pages File Type
5422610 Surface Science 2012 4 Pages PDF
Abstract
► High-bias STM images of SrTiO3(001) reconstructions were simulated via DFT. ► Presently accepted 2 × 1 dry model is known to have a very high energy. ► A hydrated 2 × 1 model is more consistent with experimental STM than dry structure. ► A partially hydrated 2 × 1 is proposed as the structure of a c(4 × 4) reconstruction. ► This c(4 × 4) model agrees very well with experimental STM images.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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