DataVXACS Energy LettersPaper
journal article·2019-09-13Open access

Energy Level Tuning at the MAPbI3 Perovskite/Contact Interface Using Chemical Treatment

Daniele Meggiolaro, Edoardo Mosconi, Andrew H. Proppe, Rafael Quintero-Bermudez, Shana O. Kelley, Edward H. Sargent, Filippo De Angelis

ACS Energy Letters· Volume 4· Issue 9
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Source abstract

Abstract

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.
Source: openalex_inverted_index · Quality: baseline

Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Chalcogenide Semiconductor Thin Films · Quantum Dots Synthesis And Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Molecolari (ISTM-CNR), Via Elce di Sotto 8, 06123 Perugia, Italy

CompuNet, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova, Italy

Department of Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 3G4

The Edward S. Rogers Department of Electrical and Computer Engineering, University of Toronto, Toronto, Ontario, Canada M5S 3G4

Department of Pharmaceutical Sciences, Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario, Canada M5S 3M2

Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy

Funding

Horizon 2020 Framework Programme

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