Tuning halide perovskite energy levels

Laura Canil; Tobias Cramer; Beatrice Fraboni; Damiano Ricciarelli; Daniele Meggiolaro; Ajay Singh; Maning Liu; Marin Rusu; Christian M. Wolff; Nga Phung; Qiong Wang; Dieter Neher; Thomas Unold; Paola Vivo; Alessio Gagliardi; Filippo De Angelis; Antonio Abate

doi:10.1039/D0EE02216K

Tuning halide perovskite energy levels†

Laura Canil,

^a Tobias Cramer,^b Beatrice Fraboni,^b Damiano Ricciarelli,^cd Daniele Meggiolaro,^c Ajay Singh,

^e Maning Liu,^f Marin Rusu,

^g Christian M. Wolff,

^h Nga Phung,

^a Qiong Wang,^a Dieter Neher,

^h Thomas Unold,

^g Paola Vivo,

^f Alessio Gagliardi,^e Filippo De Angelis^cd and Antonio Abate*^ai

Author affiliations

* Corresponding authors

^a Young Investigator Group Active Materials and Interfaces for Stable Perovskite Solar Cells, Helmholtz-Zentrum Berlin für Materialen und Energie, Hahn-Meitner-Platz 1, 14109 Berlin, Germany
E-mail: antonio.abate@helmholtz-berlin.de

^b Department of Physics and Astronomy, University of Bologna, Viale Berti Pichat 6/2, 40127 Bologna, Italy

^c Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123 Perugia, Italy

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

^e Department of Electrical and Computer Engineering, Technical University of Munich, 80333 Munich, Germany

^f Faculty of Engineering and Natural Sciences, Tampere University, P.O. Box 541, FI-33014 Tampere, Finland

^g Department Structure and Dynamics of Energy Materials, Helmholtz-Zentrum Berlin für Materialen und Energie, Hahn-Meitner-Platz 1, 14109 Berlin, Germany

^h Institute of Physics and Astronomy, Universität Potsdam, Karl-Liebknecht-Str. 24-25, 14776 Potsdam, Germany

ⁱ Department of Chemical, Materials and Production Engineering, University of Naples, Federico II, Piazzale Tecchio 80, 80125 Fuorigrotta, Naples, Italy

Abstract

The ability to control the energy levels in semiconductors is compelling for optoelectronic applications. In this study, we managed to tune the work function (WF) of halide perovskite semiconductors using self-assembled monolayers of small molecules to induce stable dipoles at the surface. The direction and intensity of the surface dipoles rely on specific molecule-to-surface interactions. Electron acceptor or donor molecules result in the positive or negative WF shifts up to several hundreds of meV. Our approach provides a versatile tool to control the WF of halide perovskite and adjust the energy level alignment at the interface with charge transport materials in perovskite-based optoelectronics. The impact on perovskite solar cells is reported and discussed in detail with the support of modelling.

Energy & Environmental Science

Tuning halide perovskite energy levels†

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Tuning halide perovskite energy levels

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