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First-Principles Study of Two-Dimensional Titanium Dioxides

โœ Scribed by Sato, Hisako; Ono, Kanta; Sasaki, Takayoshi; Yamagishi, Akihiko


Book ID
120078713
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
87 KB
Volume
107
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES


Surface properties of titanium nitride:
โœ Chao Wang; Yongbing Dai; Haiyan Gao; Xiaoming Ruan; Jun Wang; Baode Sun ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 467 KB

The low-index surfaces of TiN are calculated using the first-principles method based on density functional theory. It is found that the relaxation effect is mainly localized in the outmost three layers for all surfaces, and the distance reduction of the outmost interlayer for the N-terminated (111)