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Wen-Fei Huang, Hsin-Tsung Chen and M.C. Lin Computational investigation of the adsorption and reactions of SiHx (x = 0–4) on TiO2 anatase (101) and rutile (110) surfaces International Journal of Quantum Chemistry 113

Article first published online: 8 JAN 2013 | DOI: 10.1002/qua.24388

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SiHx (x = 0–4) has been used as a precursor with Ar as a carrier gas to grow silicon quantum dots (QD) over TiO2 by crystal vapor deposition. Density functional theory is used to increase the understanding of the complex Si-QDs growth process, and to elucidate the reaction mechanism of the SiHx decomposition over the anatase (101) and rutile (110) surfaces.

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