Effect of polaronic charge transfer on band alignment at the Cu/TiO2 interface

Dataset

Description

Files relating to calculations presented in the paper 'Effect of polaronic charge transfer on band alignment at the Cu/TiO2 interface'. The dataset includes cif files for all TiO2/Cu supercells in the paper as well as example input and output files for the calculations using the VASP code.
Date made available2016
PublisherUniversity of York
Date of data production2016

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