Modular design of SPIRO-OMeTAD analogues as hole transport materials in solar cells.
We predict the ionisation potentials of the hole-conducting material SPIRO-OMeTAD and twelve methoxy isomers and polymethoxy derivatives. Based on electronic and economic factors, we identify the optimal compounds for application as p-type hole-selective contacts in hybrid halide perovskite solar cells.
Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK. a.walsh@bath.ac.uk.
Alexander T
AT
Murray
Jarvist M
JM
Frost
Christopher H
CH
Hendon
Christopher D
CD
Molloy
David R
DR
Carbery
Aron
A
Walsh