Hydrogen adsorption and diffusion around Si(0 0 1)/Si(1 1 0) corners in nanostructures
نویسندگان
چکیده
منابع مشابه
Adsorption and diffusion energetics of hydrogen atoms on Fe(1 1 0) from first principles
Spin-polarized density functional theory (DFT) has been used to characterize hydrogen atom adsorption and diffusion energetics on the Fe(1 1 0) surface. The Kohn-Sham equations are solved with periodic boundary conditions and within the all-electron projector-augmented-wave (PAW) formalism, using a generalized gradient approximation (GGA) to account for electron exchange and correlation. We inv...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2014
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/26/29/295301