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Density functional theory study on adsorption of thiophene on TiO2 anatase (0 0 1) surfaces

โœ Scribed by Jiahua Guo; Shingo Watanabe; Michael J. Janik; Xiaoliang Ma; Chunshan Song


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
973 KB
Volume
149
Category
Article
ISSN
0920-5861

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๐Ÿ“œ SIMILAR VOLUMES


Density functional study of oxygen adsor
โœ Xuemin Wang; Changle Sheng; Yuyin Wang; Liping Peng; Weidong Wu; Yongjian Tang ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 447 KB

The adsorption of oxygen atoms on Mg 3 Nd (0 0 1) surface was studied based on density function theory (DFT), in which the exchange-correlation potential was chosen as the generalized gradient approximation (GGA) in the Perdew and Wang (PW91). The most preferred adsorption position was at the tophol