First-principles study on the electronic and optical properties of the (Eu,N)-codoped anatase TiO2 photocatalyst | Zendy

Fang Liu | Zendy; Zhenyi Jiang | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

First-principles study on the electronic and optical properties of the (Eu,N)-codoped anatase TiO2 photocatalyst

Author(s) -

Fang Liu,

Zhenyi Jiang

Publication year - 2013

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.62.193103

Subject(s) - pseudopotential , materials science , doping , band gap , anatase , impurity , absorption edge , density functional theory , photocatalysis , visible spectrum , absorption (acoustics) , electronic structure , condensed matter physics , optoelectronics , physics , chemistry , computational chemistry , quantum mechanics , composite material , biochemistry , catalysis

We have calculated the electronic and optical properties of Eu-doped, N-doped, and (Eu,N)-codoped TiO2 using plane-wave pseudopotential method based on the density functional theory. The calculated results show that there are impurity levels of Eu 4f appearing in the band gap of Eu-doped system, and N-doped system can lead to narrowing of the band gap. Moreover, the synergistic effect of the Eu and N codoped TiO2 leads to the lattice distortion and band gap narrowing. Optical absorption curves indicate that the (Eu,N)-codoped system exhibits a significant red-shift of absorption edge, which enhances the visible-light photocatalytic activity.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research