In our most recent work, the zinc blende phase of copper iodide (CuI) was investigated using a computational high-throughput approach. This material notably holds the record hole conductivity for intrinsic transparent p-type semiconductor. In our study, eight impurities suitable for n-type doping were discovered. Unfortunately, the work reveals that donor doping is hindered by compensating native defects, making ambipolar doping unlikely.
This article is part of the themed collection: 2019 PCCP HOT Articles, and is free to download for a couple of months. It was selected for the September 2019 Cover of PCCP! (link)