10.1021/acsenergylett.9b01584
https://zenodo.org/records/3543602
oai:zenodo.org:3543602
Daniele Meggiolaro
Daniele Meggiolaro
Edoardo Mosconi
Edoardo Mosconi
Andrew H. Proppe
Andrew H. Proppe
Rafael Quintero-Bermudez
Rafael Quintero-Bermudez
Shana O. Kelley
Shana O. Kelley
Edward H. Sargent
Edward H. Sargent
Filippo De Angelis
Filippo De Angelis
Energy Level Tuning at the MAPbI3 Perovskite/Contact Interface Using Chemical Treatment
Zenodo
2019
2019-08-14
https://zenodo.org/communities/eu
Creative Commons Attribution 4.0 International
Metal halide perovskites are rivaling established materials for thin film photovoltaics. Being able to tune interfacial alignment of energy levels may allow a further boost to the efficiency of perovskite optoelectronic devices. By using Density Functional Theory (DFT) modeling and experimental analysis, we show that the band edge energies of the prototypical MAPbI3 (MA = methylammonium) perovskite can in principle be varied by as much as 1 eV via postsynthetic chemical treatment. In particular, MAI-rich (PbI2-rich) surfaces induce an energy upshift (downshift) of the perovskite band energies, and this can either inhibit or favor hole transfer at the perovskite/HTL interface.
European Commission
10.13039/501100000780
764047
Efficient Structures and Processes for Reliable Perovskite Solar Modules