There is evidence that interface recombination in Cu2ZnSnS4 solar cells contributes to the open-circuit voltage deficit. Our hybrid density functional theory calculations suggest that electron-hole recombination at the Cu2ZnSnS4/CdS interface is caused by a deeper conduction band that slows electron extraction. In contrast, the bandgap is not narrowed for the Cu2ZnSnS4/CdS interface, consistent with a lower open-circuit voltage deficit.
Bibliographical noteFunding Information:
We thank Andrea Crovetto and Mattias Lau Nøhr Palsgaard for helpful discussion. This project received funding from the European H2020 Framework Programme for research, technological development and demonstration under Grant Agreement No. 720907. See http://www.starcell.eu. Via our membership of the UK’s HPC Materials Chemistry Consortium, which is funded by EPSRC (No. EP/L000202), this work used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk). We are grateful to the UK Materials and Molecular Modelling Hub for computational resources, which was partially funded by EPSRC (No. EP/
All Science Journal Classification (ASJC) codes
- Physics and Astronomy (miscellaneous)