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Issue 2, 2017
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Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells

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Abstract

We constructed a database of 80 high performing non-fullerene electron acceptors and studied the common electronic and geometric properties in search of unifying design rules. We discovered that, without exception, all high performing materials are characterized by very low gap between LUMO and LUMO+1 orbitals, a feature that is consistent with microscopic models and seems to be true for all classes of compounds considered. We also confirmed that non-planarity of the acceptor is beneficial but not for all classes of acceptors. We suggested that by building similar databases and keeping it up to date it will be possible to identify statistically meaningful structure–property relations.

Graphical abstract: Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells

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Publication details

The article was received on 16 Dec 2016, accepted on 17 Jan 2017 and first published on 17 Jan 2017


Article type: Analysis
DOI: 10.1039/C6EE03654F
Energy Environ. Sci., 2017,10, 395-401

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    Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells

    A. Kuzmich, D. Padula, H. Ma and A. Troisi, Energy Environ. Sci., 2017, 10, 395
    DOI: 10.1039/C6EE03654F

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