Tuning electronic properties of adsorbates on ZrO2/Pt3Zr thin films: A DFT study
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In the present study, we theoretically investigated the effect of alloy Pt3Zr supported thin film ZrO2 on the electronic properties of adsorbed species consisting of single atom Au and H2 molecules. To this end, we applied a PBE+U method, including dispersion force.
Nội dung trích xuất từ tài liệu:
Tuning electronic properties of adsorbates on ZrO2/Pt3Zr thin films: A DFT study
Nội dung trích xuất từ tài liệu:
Tuning electronic properties of adsorbates on ZrO2/Pt3Zr thin films: A DFT study
Tìm kiếm theo từ khóa liên quan:
Vietnam Journal of Catalysis and Adsorption Catalysis and Adsorption Charge transfer Tuning electronic properties ZrO2/Pt3Zr thin filmsGợi ý tài liệu liên quan:
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