CO oxidization catalyzed by B, N, and their co-doped fullerenes: a first-principles investigation
نویسندگان
چکیده
منابع مشابه
Electronic Structures of Cu/S Co-doped/ Anatase TiO2 by First-principles
The structural parameters, band structures and density of states of anatase TiO2 co-doped with Cu and S were calculated by first-principles based on the density functional theory. The results indicate that the volumes of the co-doped TiO2 increase due to the lattice distortion. The calculated X-ray diffraction pattern shows that the crystal phase of TiO2 is still kept as anatase after Cu and S ...
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ژورنال
عنوان ژورنال: RSC Advances
سال: 2019
ISSN: 2046-2069
DOI: 10.1039/c9ra02172h