Journal
RSC ADVANCES
Volume 5, Issue 100, Pages 82346-82350Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5ra14381k
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Funding
- Australian Research Council [DP130102420]
- [DAAD/PPPATN57058295]
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The long-term stability of methylammonium lead triiodide (MAPbI(3)) perovskite in moist environments is a paramount challenge to realise the commercialization of perovskite solar cells. In an attempt to address this concern, we have carried out systematic first-principles studies on the MAPbI(3) perovskite with a hydrophobic graphene layer interfaced as a water barrier. We find there is a charge transfer at the graphene/MAPbI(3) interface and electrons can be excited from graphene into the perovskite surface, leading to well separated electron-hole pairs, i.e. reduced recombination. By studying the optical properties, we find the hybrid graphene/MAPbI(3) nanocomposite displays enhanced light absorption compared with the pristine MAPbI(3). Furthermore, from an ab initio molecular dynamics simulation, the graphene/MAPbI(3) nanocomposite is confirmed to be able to resist the reaction with water molecules, highlighting a great advantage of this nanocomposite in promoting long-term photovoltaic performance.
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