Jump to main content
Jump to site search

Issue 58, 2018, Issue in Progress
Previous Article Next Article

Effect of metal doping on the visible light absorption, electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

Author affiliations

Abstract

Non-toxic metal halide perovskites have become forefront for commercialization of the perovskite solar cells and optoelectronic devices. In the present study, for the first time we show that particular metal doping in CsGeCl3 halide can considerably enhance the absorbance both in the visible and ultraviolet light energy range. We have carried out DFT based first principles calculations on Mn-doped and Ni-doped CsGeCl3 halide. We investigate the detailed structural, optical, electronic and mechanical properties of all the doped compositions theoretically. The study of the optical properties shows that the absorption edge of both Ni and Mn-doped CsGeCl3 is shifted toward the low energy region (red shift) relative to the pristine one. An additional peak is observed for both doped profiles in the visible light energy region. The study of the mechanical properties demonstrates that both the doped samples are mechanically stable and ductile as the pristine CsGeCl3. The study of the electronic properties shows that the excitation of photoelectrons is easier due to the formation of intermediate states in Mn-doped CsGeCl3. As a result Mn-doped CsGeCl3 exhibits higher absorptivity in the visible region than the Ni-doped counterpart. A combinational analysis indicates that CsGe1−xMnxCl3 is the best lead free candidate among the inorganic perovskite materials for solar cell and optoelectronic applications.

Graphical abstract: Effect of metal doping on the visible light absorption, electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

Back to tab navigation

Article information


Submitted
30 Jul 2018
Accepted
31 Aug 2018
First published
24 Sep 2018

This article is Open Access

RSC Adv., 2018,8, 33010-33018
Article type
Paper

Effect of metal doping on the visible light absorption, electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

Md. Z. Rahaman and A. K. M. Akther Hossain, RSC Adv., 2018, 8, 33010
DOI: 10.1039/C8RA06374E

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements