Ganose, AM; Savory, CN; Scanlon, DO; (2017) Electronic and defect properties of (CH3NH3)2Pb(SCN)2I2 analogues for photovoltaic applications. Journal of Materials Chemistry A 10.1039/C7TA01688C.

Preview

Text Scanlon_c7ta01688c.pdf - Published Version Download (2MB) | Preview

Abstract

In the past 5 years, hybrid halide perovskites have emerged as a class of highly efficient photovoltaic (PV) absorbers, with excellent electronic properties and low cost synthesis routes. Unfortunately, despite much research effort, their long-term stability is poor and presents a major obstacle toward commercialisation. The layered perovskite (CH3NH3)2Pb(SCN)2I2 (MAPSI) has recently been identified as a promising PV candidate material due to its enhanced stability and favourable electronic properties. Here, we demonstrate, using relativistic hybrid density functional theory, that the MAPSI structural motif can be extended to include a range of other metals, halides and even pseudohalides. In this way, the electronic structure of MAPSI can be tuned without affecting its stability with respect towards decomposition. These results indicate the possibility of lead-free MAPSI analogues, with suitable properties for photovoltaic top cells in tandem devices.

Download activity - last month

Export as CSVXMLJSON

Download activity - last 12 months

Export as CSVXMLJSON

Downloads by country - last 12 months

Export as JSONCSVXML

Archive Staff Only

View Item