Density functional study on H2S adsorption on Pd(111) and Pd/γ-Al2O3(110) surfaces
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چکیده
منابع مشابه
Adsorption of H2S molecule on TiO2/Au nanocomposites: A density functional theory study
The adsorption of hydrogen sulfide molecule on undoped and N-doped TiO2/Au nanocomposites was investigated by density functional theory (DFT) calculations. The results showed that the adsorption energies of H2S on the nanocomposites follow the order of 2N doped (Ti site)>N-doped (Ti site)>Undoped (Ti site). The structural properties including bond lengths, angles<span id="...
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ژورنال
عنوان ژورنال: Applied Surface Science
سال: 2017
ISSN: 0169-4332
DOI: 10.1016/j.apsusc.2017.06.254