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, 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

Associate Professorship of Simulation of Nanosystems for Energy Conversion

Research output: Contribution to journal › Article › peer-review

186 Scopus citations

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.

Original language	English
Pages (from-to)	1429-1438
Number of pages	10
Journal	Energy and Environmental Science
Volume	14
Issue number	3
DOIs	https://doi.org/10.1039/d0ee02216k
State	Published - Mar 2021

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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.",

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

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doi = "10.1039/d0ee02216k",

language = "English",

volume = "14",

pages = "1429--1438",

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T1 - Tuning halide perovskite energy levels

AU - Canil, Laura

AU - Cramer, Tobias

AU - Fraboni, Beatrice

AU - Ricciarelli, Damiano

AU - Meggiolaro, Daniele

AU - Singh, Ajay

AU - Liu, Maning

AU - Rusu, Marin

AU - Wolff, Christian M.

AU - Phung, Nga

AU - Wang, Qiong

AU - Neher, Dieter

AU - Unold, Thomas

AU - Vivo, Paola

AU - Gagliardi, Alessio

AU - De Angelis, Filippo

AU - Abate, Antonio

PY - 2021/3

Y1 - 2021/3

N2 - 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.

AB - 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.

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DO - 10.1039/d0ee02216k

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VL - 14

SP - 1429

EP - 1438

JO - Energy and Environmental Science

JF - Energy and Environmental Science

IS - 3

ER -

Tuning halide perovskite energy levels

Abstract

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