SNIC SUPR
Electronic structure calculations of some mixed cation hybrid perovskite
Dnr:

SNIC 2019/7-62

Type:

SNIC Small Compute

Principal Investigator:

Bhushan Prabhakar Kore

Affiliation:

Kungliga Tekniska högskolan

Start Date:

2019-09-16

End Date:

2021-10-01

Primary Classification:

10407: Theoretical Chemistry

Webpage:

Allocation

Abstract

The mixed cation based hybrid perovskite offer better stability in terms of the device performance. The presence of hydrophobic organic cations prevents the perovskite from the external environmental factors such as moisture. From fundamental perspective it is interesting to investigate how the electronic of these hybrid perovskite evolve with A and B site cation substitution.