Design-to-Device Approach Affords Panchromatic Co-Sensitized Solar Cells

Cooper, C.B. ; Beard, E.J. ; Vázquez-Mayagoitia, Á. ; Stan, L. ; Stenning, G.B.G. ; Nye, D.W. ; Vigil, J.A. ; Tomar, T. ; Jia, J. ; Bodedla, G.B. ; Chen, S. ; Gallego, L. ; Franco, S. (Universidad de Zaragoza) ; Carella, A. ; Thomas, K.R.J. ; Xue, S. ; Zhu, X. ; Cole, J.M.

Resumen: Data-driven materials discovery has become increasingly important in identifying materials that exhibit specific, desirable properties from a vast chemical search space. Synergic prediction and experimental validation are needed to accelerate scientific advances related to critical societal applications. A design-to-device study that uses high-throughput screens with algorithmic encodings of structure–property relationships is reported to identify new materials with panchromatic optical absorption, whose photovoltaic device applications are then experimentally verified. The data-mining methods source 9431 dye candidates, which are auto-generated from the literature using a custom text-mining tool. These candidates are sifted via a data-mining workflow that is tailored to identify optimal combinations of organic dyes that have complementary optical absorption properties such that they can harvest all available sunlight when acting as co-sensitizers for dye-sensitized solar cells (DSSCs). Six promising dye combinations are shortlisted for device testing, whereupon one dye combination yields co-sensitized DSSCs with power conversion efficiencies comparable to those of the high-performance, organometallic dye, N719. These results demonstrate how data-driven molecular engineering can accelerate materials discovery for panchromatic photovoltaic or other applications.

Idioma: Inglés

DOI: 10.1002/aenm.201802820

Año: 2018

Publicado en: ADVANCED ENERGY MATERIALS 9, 5 (2018), 1802820 [10 pp]
ISSN: 1614-6832

Factor impacto JCR: 24.884 (2018)

Categ. JCR: CHEMISTRY, PHYSICAL rank: 3 / 148 = 0.02 (2018) - Q1 - T1
Categ. JCR: ENERGY & FUELS rank: 4 / 103 = 0.039 (2018) - Q1 - T1
Categ. JCR: PHYSICS, CONDENSED MATTER rank: 4 / 68 = 0.059 (2018) - Q1 - T1
Categ. JCR: PHYSICS, APPLIED rank: 4 / 148 = 0.027 (2018) - Q1 - T1
Categ. JCR: MATERIALS SCIENCE, MULTIDISCIPLINARY rank: 6 / 293 = 0.02 (2018) - Q1 - T1

Factor impacto SCIMAGO: 8.9 - Renewable Energy, Sustainability and the Environment (Q1) - Materials Science (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/DGA/E14-17R
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-52331-R

Tipo y forma: Artículo (PostPrint)

Área (Departamento): Área Química Orgánica (Dpto. Química Orgánica)