122nd General Meeting of the KCS

Type Poster Presentation
Area Physical Chemistry
Room No. Grand Ballroom
Time 10월 19일 (금요일) 11:00~12:30
Code PHYS.P-207
Subject Triphenylamine Tetrasubstituted Heterocyclic Aromatic Organic Hole Transport Materials for Perovskite Solar Cell: A Computational Approach
Authors Maebienne Anjelica Gapol, Sang Hee Lee, Dong Hee Kim*
Department of Chemistry, Kunsan National University, Korea
Abstract Perovskite solar cells (PeSC) has undergone numerous and rapid developments leading to an unprecedented 22.7% power conversion efficiency. Discovery of a more efficient and stable hole transport material (HTM) is one of the major tasks faced in improving PeSC. Triphenylamine derivatives have been applied in various electro-optical materials and have been used as HTM in perovskite solar cell. In this presentation, we investigated a variety of heterocyclic aromatic hydrocarbon central moieties with triphenylamine substituents as possible HTM for PeSC. Energy levels, absorption spectra and electrochemical properties of the derivatives were calculated using density functional theory and time-dependent density functional theory to give the best HTM design for PeSC.
E-mail mae@kunsan.ac.kr