Crystal, electronic and magnetic structure of Co and Ag doped rutile TiO 2 from first-principles calculations

Advanced Materials Research

Volumn 399-401, Issue , 2012, Pages 1789-1792

  Zhang, Likun ^a   Wu, Bo ^a   Wang, Min ^a   Chen, Lu ^a   Ye, Guoxin ^a   Chen, Tuo ^a   Liu, Hailong ^a   Huang, Chaoran ^a   Li, Jinglin ^b  

^a FUZHOU UNIVERSITY   (China)

^b FUJIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Electronic structure; First principles calculations; Photocatalytic activities; Rutile TiO 2

Indexed keywords

DOPED SYSTEMS; DOPING ATOMS; ENERGY LEVEL; FERROMAGNETIC PROPERTIES; FERROMAGNETIC STATE; FIRST-PRINCIPLES CALCULATION; PHOTOCATALYTIC ACTIVITIES; PROJECTOR AUGMENTED WAVES; PSEUDOPOTENTIALS; RUTILE TIO; TIO; VISIBLE-LIGHT IRRADIATION;

ATOMS; CALCULATIONS; COBALT; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; FERROMAGNETISM; MAGNETIC MOMENTS; METALLURGICAL ENGINEERING; OXIDE MINERALS; PHOTOCATALYSIS; SILVER; TITANIUM DIOXIDE;

CRYSTAL STRUCTURE;

EID: 83755228608     PISSN: 10226680     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/AMR.399-401.1789     Document Type: Conference Paper

References (12)

1. H.Yamashita, Y. Ichihashi, M. Takeuchi, S. Kishiguchi and M. Anpo: Synchrotron Rad. Vol. 6(1999), p. 451-452.
2. T. Umebayashi, T. Yamaki and Itoh H: Phsy. Chem. Soli. Vol. 63(2002), p. 1909-1920.
3. K.E. Karakitsou, X. E. Verykios: Phys. Chem. Vol. 97(1993), p. 1184-1189.
4. Sato K, Katayama Yoshida, and Dederichs P H: Europhysics Letters. Vol. 61(2003), p. 31-35.
5. Rebecca Janisch, PriyaGopal and Nicola A Spaldin: J. Phys.Vol. 17(2005), p. 657-689.
6. Park M, Kwon S and Min B: Phys. Rev. Vol. 65(2002), p. 61201.
7. W Gopel, J A Anderson, D Frankel: Surface Science. Vol. 139(1984), p. 333-346.
8. Z Zhang, S P Jeng, V E Henrich: Phys Rev.Vol. 43(1991), p. 12004-12011.
9. H. Chang, K. Kong, Y.S. Choi, E. In, Y. Choi: Chem. Phys. Lett. Vol. 398(2004), p. 449.
10. 2 Photocatalyst. (Master Thesis, Fuzhou University 2010, Fuzhou China).
11. Asahi R, Morikawa T, Ohwaki T: Science. Vol. 13(2001), p. 269-271.
12. Iwasaki M, Hara M, Kawada K: Journal of Colloid and Interface Science. Vol. 224 (2000), p. 202-204.