Jump to main content
Jump to site search

Issue 24, 2017
Previous Article Next Article

Tailoring lanthanide doping in perovskite CaTiO3 for luminescence applications

Author affiliations

Abstract

Perovskite oxide materials have been attracting significant attention due to their rich physical and chemical properties. With its proven stability and bio-compatibility, we suggest the lanthanide-doped perovskite to be a promising material for biological luminescence applications. Here, taking CaTiO3 as a concrete example, we systematically investigate its doping properties using first-principles computational methods. We determine the conditions allowing the growth of CaTiO3 against various competing phases. We obtain the formation energies of various intrinsic point defects in the material. The doping configuration and the charge state of the lanthanide dopants are determined. We find that for heavier elements in the lanthanide family, the substitution at the Ca site is favored under p-type growth conditions and tends to be trivalent, whereas the substitution at the Ti site is favored under n-type growth conditions and tends to be divalent. And for lighter elements in the family, the substitution at the Ca site is more favored for most cases and the dopant is more likely to be trivalent. By tuning the growth conditions, one could control the valence state of the lanthanide dopant, which in turn controls the luminescence spectra. We collect and identify the emission peaks in the infrared biological window, based on which possible doping schemes are suggested for bio-labeling and imaging applications.

Graphical abstract: Tailoring lanthanide doping in perovskite CaTiO3 for luminescence applications

Back to tab navigation

Supplementary files

Publication details

The article was received on 27 Mar 2017, accepted on 26 May 2017 and first published on 26 May 2017


Article type: Paper
DOI: 10.1039/C7CP01953J
Citation: Phys. Chem. Chem. Phys., 2017,19, 16189-16197
  •   Request permissions

    Tailoring lanthanide doping in perovskite CaTiO3 for luminescence applications

    P. Yang, B. Tai, W. Wu, J. Zhang, F. Wang, S. Guan, W. Guo, Y. Lu and S. A. Yang, Phys. Chem. Chem. Phys., 2017, 19, 16189
    DOI: 10.1039/C7CP01953J

Search articles by author

Spotlight

Advertisements