Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


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

Article information


Submitted
06 Jul 2014
Accepted
29 Aug 2014
First published
03 Sep 2014

CrystEngComm, 2015,17, 295-298
Article type
Communication
Author version available

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

Social activity

Search articles by author

Spotlight

Advertisements