Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2

Abstract

Articles you may be interested inThe electronic structure changes and the origin of the enhanced optical properties in N-doped anatase TiO2-A theoretical revisitResearch on the effect of crystal structures on W-TiO2 nanotube array photoelectrodes by theoretical and experimental methodsThe energy band structure and optical properties of C-doped and C/H-codoped anatase TiO 2 are investigated using the first-principles based on density-functional theory. The obtained results indicate that the structure of C/H-codoping is more stable than that of C-doping. For C-doped anatase TiO 2 , the band gap narrowing is small, and the high visible-light catalytic ability originates from the isolated C 2p states above the valence-band maximum. With the same carbon doping level, the C/H-codoping produces significant bandgap narrowing, which leads to higher visible-light photocatalytic efficiency than the C-doping does.

First Principles Study on the Electronic Structure and Optical Property of Nd-C Codoped Anatase TiO 2

“…Our calculated band structure is in agreement with that of Li et al [23] in general. The impurity energy level below conduction band lies above Fermi level, so it is lack of electrons, and the one above valence band is blow Fermi level, then is occupied by electrons.…”

The electronic and optical properties of Eu/Si-codoped anatase TiO2 photocatalyst

“…[3][4][5][6] A few latest researches show that different ions codoping into TiO 2 can further narrow its band gap and enhance its photocatalytic activity. [7][8][9][10][11][12][13][14] For instance, Jia et al studied the microscopic mechanism for band gap narrowing and the origin of the enhanced visible-light photocatalytic activity in N/S-codoped anatase TiO 2 . 7 Li et al reported the C/H-codoping produces significant band gap narrowing, which leads to higher visiblelight photocatalytic efficiency than the C-doped anatase TiO 2 .…”

“…7 Li et al reported the C/H-codoping produces significant band gap narrowing, which leads to higher visiblelight photocatalytic efficiency than the C-doped anatase TiO 2 . 9 The research of Su et al suggested that the codoping of TiO 2 with N and Fe leads to the much narrowing of the band gap and greatly improves the photocatalytic activity under visible irradiation. 10 These results indicate that (co)doping is one of the most effective approaches to extend the absorption edge to the visible-light range in anatase TiO 2 .…”

Enhanced optical absorption and photocatalytic activity of anatase TiO2 through (Si,Ni) codoping

“…[3][4][5] A few latest researches show that different ions codoping into TiO 2 can further narrow its band gap and enhance its photocatalytic activity. [6][7][8][9][10][11][12][13] For example, Li et al reported the C/H-codoping produces significant bandgap narrowing, which leads to higher visible-light photocatalytic efficiency than the C-doped anatase TiO 2 . 8 The research of Su et al suggested that the codoping of TiO 2 with N and Fe leads to the much narrowing of the band gap and greatly improves the photocatalytic activity under visible-light irradiation.…”

“…[6][7][8][9][10][11][12][13] For example, Li et al reported the C/H-codoping produces significant bandgap narrowing, which leads to higher visible-light photocatalytic efficiency than the C-doped anatase TiO 2 . 8 The research of Su et al suggested that the codoping of TiO 2 with N and Fe leads to the much narrowing of the band gap and greatly improves the photocatalytic activity under visible-light irradiation. 9 These results indicate that codoping is one of the most effective approaches to extend the absorption edge to the visiblelight range in anatase TiO 2 .…”