Jump to main content
Jump to site search

Issue 2, 2015
Previous Article Next Article

Structural trends in hybrid perovskites [Me2NH2]M[HCOO]3 (M = Mn, Fe, Co, Ni, Zn): computational assessment based on Bader charge analysis

Author affiliations

Abstract

Topological analysis of the electron density of hybrid perovskites with different transition metal atoms indicates that the variation in the cell size depends on the extent of charge transfer from metal to oxygen rather than on the identity of the transition metal atom alone. The metal–oxygen interaction is less polarized and thus a greater covalent vs. ionic contribution is expected along the first row transition metal series.

Graphical abstract: Structural trends in hybrid perovskites [Me2NH2]M[HCOO]3 (M = Mn, Fe, Co, Ni, Zn): computational assessment based on Bader charge analysis

Back to tab navigation

Supplementary files

Publication details

The article was received on 06 Jul 2014, accepted on 29 Aug 2014 and first published on 03 Sep 2014


Article type: Communication
DOI: 10.1039/C4CE01387E
Author version
available:
Download author version (PDF)
Citation: CrystEngComm, 2015,17, 295-298
  •   Request permissions

    Structural trends in hybrid perovskites [Me2NH2]M[HCOO]3 (M = Mn, Fe, Co, Ni, Zn): computational assessment based on Bader charge analysis

    M. Kosa and D. T. Major, CrystEngComm, 2015, 17, 295
    DOI: 10.1039/C4CE01387E

Search articles by author

Spotlight

Advertisements