Physics – Condensed Matter – Materials Science
Scientific paper
2012-03-04
Phys. Status Solidi RRL 6(2012)172
Physics
Condensed Matter
Materials Science
4 pages, 4 figures, 17 references
Scientific paper
10.1002/pssr.201206029
We present the GGA+U calculations to investigate the electronic structure and visible light absorption of the N, B-codoped anatase TiO2. The NsBi (substitutional N, interstitial B) codoped TiO2 produces significant Ti 3d and N 2p mid-gap states when the distance of N and B atoms is far, and the NiBi (interstitial N and B) and NsBs (substitutional N and B) codoped TiO2 prefer to form localized p states at 0.3-1.2 eV above the valence band maximum. Further, the optical band edges of the three codoped systems shift slightly to the visible region, but only the far distance NsBi codoped TiO2 shows an obvious visible optical transition. These results indicate that the NsBi codoped TiO2 has a dominant contribution to the visible absorption of the N, B-codoped TiO2.
Jiulin Du
Meili Guo
Xiao-Dong Zhang
No associations
LandOfFree
Electronic structure and enhanced visible light absorption of N, B-codoped TiO2 does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Electronic structure and enhanced visible light absorption of N, B-codoped TiO2, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Electronic structure and enhanced visible light absorption of N, B-codoped TiO2 will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-331414