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Modular design of SPIRO-OMeTAD analogues as hole transport materials in solar cells
Alexander T Murray1, Jarvist M Frost, Christopher H Hendon
1Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK. a.walsh@bath.ac.uk.
Abstract:
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.

