报告题目：Impact of aggregation and molecular packing at donor-acceptor interfaces in organic solar cells

报 告 人：Jean-Luc Bredas, Department of Chemistry and Biochemistry, The University of Arizona

主持人/邀请人：郎兴友/王同辉

时 间：2022年12月13日，上午9:00-10:00

线上会议链接Zoom Meeting：https://unist-kr.zoom.us/j/98728232967

主办单位：汽车材料教育部重点实验室

          菠菜导航网228118

摘   要：

With the emergence of efficient non-fullerene acceptors some five years ago, the power conversion efficiency of organic solar cells (OSCs) has increased remarkably, from some 12% to over 19%. In OSCs, the active layers conventionally consist of bulk-heterojunctions, that is blends of an electron donor component, usually a π-conjugated polymer, and an electron acceptor component. At the donor-acceptor interfaces, there appear inter-molecular charge-transfer (CT) electronic states that mediate the exciton-dissociation, charge-separation, and charge-recombination processes and thus play a critical role in the operation of the OSC.

In this presentation, we discuss how the combination of state-of-the-art electronic-structure calculations, fully quantum-mechanical vibronic approaches, and molecular dynamics simulations together with experimental data coming in particular from temperature-dependent electroluminescence measurements: (i) allows a reliable description of the nature and energetic distribution of the CT electronic states; (ii) offers a unified description of the non-radiative voltage losses in both fullerene-based and nonfullerene-based devices; and (iii) provides guidance for the design of next-generation, high-efficiency OSC blends. Based on these results, we describe a novel approach exploiting so-called asymmetric non-fullerene acceptors. (This work is funded by the Office of Naval Research.)

报告人简介：

Jean-Luc Bredas received his B.Sc. (1976) and Ph.D. (1979) degrees from the University of Namur, Belgium. In 1988, he was appointed Professor at the University of Mons, Belgium, where he established the Laboratory for Chemistry of Novel Materials. While keeping an “Extraordinary Professorship” appointment in Mons, he joined the University of Arizona in 1999. In 2003, he moved to the Georgia Institute of Technology where he became Regents’ Professor of Chemistry and Biochemistry and held the Vasser-Woolley and Georgia Research Alliance Chair in Molecular Design. Between 2014 and 2016, he joined King Abdullah University of Science and Technology (KAUST) as a Distinguished Professor and served as Director of the KAUST Solar & Photovoltaics Engineering Research Center. He returned to Georgia Tech in 2017 before moving back to the University of Arizona in 2020 where he is currently Regents Professor in the Department of Chemistry and Biochemistry.

Jean-Luc Bredas is an elected Member of the International Academy of Quantum Molecular Science, the Royal Academy of Belgium, and the European Academy of Sciences. Recent honors include the 2013 American Physical Society David Adler Lectureship Award in the Field of Materials Physics, the 2016 American Chemical Society Award in the Chemistry of Materials, the 2019 Alexander von Humboldt Research Award, the 2020 Materials Research Society Materials Theory Award, and the 2021 Centenary Prize of the Royal Society of Chemistry. He is an Honorary Professor of the Institute of Chemistry of the Chinese Academy of Sciences and holds an Adjunct Professorship at the Georgia Institute of Technology and a Distinguished Adjunct Professorship at King Abdulaziz University. Since June 2022, he serves as Scientific Editor for Materials Horizons, the flagship materials journal of the Royal Society of Chemistry. He has published over 1200 scientific articles, which have garnered over 128,000 citations (h-index: 164) according to Google Scholar.