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Main Authors: Gierster, Lukas, Turkina, Olga, Deinert, Jan-Christoph, Vempati, Sesha, Baeta, Elsie, Garmshausen, Yves, Hecht, Stefan, Draxl, Claudia, Stähler, Julia
Format: Preprint
Published: 2023
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Online Access:https://arxiv.org/abs/2307.05257
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author Gierster, Lukas
Turkina, Olga
Deinert, Jan-Christoph
Vempati, Sesha
Baeta, Elsie
Garmshausen, Yves
Hecht, Stefan
Draxl, Claudia
Stähler, Julia
author_facet Gierster, Lukas
Turkina, Olga
Deinert, Jan-Christoph
Vempati, Sesha
Baeta, Elsie
Garmshausen, Yves
Hecht, Stefan
Draxl, Claudia
Stähler, Julia
contents Organic/inorganic hybrid systems offer great potential for novel solar cell design combining the tunability of organic chromophore absorption properties with high charge carrier mobilities of inorganic semiconductors. However, often such material combinations do not show the expected performance: while ZnO, for example, basically exhibits all necessary properties for a successful application in light-harvesting, it was clearly outpaced by TiO$_2$ in terms of charge separation efficiency. The origin of this deficiency has long been debated. This study employs femtosecond time-resolved photoelectron spectroscopy and many-body ab initio calculations to identify and quantify all elementary steps leading to the suppression of charge separation at an exemplary organic/ZnO interface. We demonstrate that charge separation indeed occurs efficiently on ultrafast (350 fs) timescales, but that electrons are recaptured at the interface on a 100 ps timescale and subsequently trapped in a strongly bound (0.7 eV) hybrid exciton state with a lifetime exceeding 5 $μ$s. Thus, initially successful charge separation is followed by delayed electron capture at the interface, leading to apparently low charge separation efficiencies. This finding provides a sufficiently large timeframe for counter-measures in device design to successfully implement specifically ZnO and, moreover, invites material scientists to revisit charge separation in various kinds of previously discarded hybrid systems.
format Preprint
id arxiv_https___arxiv_org_abs_2307_05257
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation
Gierster, Lukas
Turkina, Olga
Deinert, Jan-Christoph
Vempati, Sesha
Baeta, Elsie
Garmshausen, Yves
Hecht, Stefan
Draxl, Claudia
Stähler, Julia
Materials Science
Soft Condensed Matter
Chemical Physics
Computational Physics
Organic/inorganic hybrid systems offer great potential for novel solar cell design combining the tunability of organic chromophore absorption properties with high charge carrier mobilities of inorganic semiconductors. However, often such material combinations do not show the expected performance: while ZnO, for example, basically exhibits all necessary properties for a successful application in light-harvesting, it was clearly outpaced by TiO$_2$ in terms of charge separation efficiency. The origin of this deficiency has long been debated. This study employs femtosecond time-resolved photoelectron spectroscopy and many-body ab initio calculations to identify and quantify all elementary steps leading to the suppression of charge separation at an exemplary organic/ZnO interface. We demonstrate that charge separation indeed occurs efficiently on ultrafast (350 fs) timescales, but that electrons are recaptured at the interface on a 100 ps timescale and subsequently trapped in a strongly bound (0.7 eV) hybrid exciton state with a lifetime exceeding 5 $μ$s. Thus, initially successful charge separation is followed by delayed electron capture at the interface, leading to apparently low charge separation efficiencies. This finding provides a sufficiently large timeframe for counter-measures in device design to successfully implement specifically ZnO and, moreover, invites material scientists to revisit charge separation in various kinds of previously discarded hybrid systems.
title Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation
topic Materials Science
Soft Condensed Matter
Chemical Physics
Computational Physics
url https://arxiv.org/abs/2307.05257