| Summary: | 碩士 === 國立成功大學 === 化學系碩博士班 === 101 === Hydrothermal treatments of titanium diboride or titanium nitride in nitric acid aqueous solutions have been performed to prepare heteroelement-doped titanium dioxide with anatase phase (containing elements B and N) or rutile phase (containing element N) respectively. Mixture of these two precursors give rise to mixed crystals, containing boron and nitrogen impurity and having the highest visible-light activity, including degradation of methylene blue and formation of hydroxyl radical in water.
The computation based on density functional theory has been investigated for 2,4-dibromopyridine (2,4-DBP) / Cu(100) system to obtain the adsorption geometries, C-Br bond dissociation pathways, and related energetics. These results assist in understanding the chemical processes of 2,4-DBP on copper surfaces.
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