Theoretical Study of Mercury Species Adsorption on CaO(100) Surface
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چکیده
منابع مشابه
Theoretical study of hydrogen adsorption on the GaN(0001) surface
Ab initio density functional theory, using the B3LYP hybrid functional with all-electron basis sets, has been applied to the adsorption of H on the (0001) surface of wurtzite GaN. For bulk GaN, good agreement is obtained with photoemission and X-ray emission data for the valence band and for the Ga 3d and N 2s shallow core levels. A band gap of Eg = 4.14 eV is computed vs the experimental value...
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ژورنال
عنوان ژورنال: IOP Conference Series: Earth and Environmental Science
سال: 2017
ISSN: 1755-1307,1755-1315
DOI: 10.1088/1755-1315/63/1/012038