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First-principles calculations of hydrogen diffusion on rutile TiO[sub 2](110) surfaces

✍ Scribed by Kajita, Seiji; Minato, Taketoshi; Kato, Hiroyuki S.; Kawai, Maki; Nakayama, Takashi

Book ID: 121258310
Publisher: American Institute of Physics
Year: 2007
Tongue: English
Weight: 547 KB
Volume: 127
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2768951

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The activation of the 110 TiO rutile surface by deposition of alkali 2 metal atoms has been the subject of some recent experimental studies. These results indicate a reduction of the surface when sodium atoms are deposited on it. In the present work, this process has been studied by means of ab init