Dresden 2020 – scientific programme

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AKE: Arbeitskreis Energie

AKE 4: Renewable Energy - Photovoltaics and Electronic Processes

AKE 4.2: Talk

Monday, March 16, 2020, 15:30–15:45, DÜL

Structural and Electronic Contributions of Organic/Inorganic Cations on Perovskite Solar Cells Band Gap — •Mohammad Moaddeli and Mansour Kanani — Department of Materials Science and Engineering, School of Engineering, Shiraz University

New generation of organic/inorganic perovskite photovoltaics is becoming one of the main players for future solar technology, because of their lower cost and simplicity in synthesis process. The progress has facing various challenges in stability and efficiency since last decay. Many groups have developed appropriate experimental and computational methods to overcome those challenges by proposing different combination of organic and inorganic structures. However, lack of proper knowledge of background mechanisms governing electron transport phenomena via such elemental and molecular substitutions, is limiting developing of predictive models. We use modified density functional approach to investigate lattice parameter and long-range electronic effect of cations on band gap and electronic structure of different perovskites. Since no ionic/covalent bond is realized between cation and lead/halide, the van der Waals (vdW) field around cation controls lattice parameter and therefore the bonding length between lead and halide as well as its performance. Results show dominance of the former one for small lattice parameters while by increasing lattice parameter a correlative behavior of both is observed. This let us to draw a predictive approach for selecting organic (or even inorganic) cation for different structural combinations based on cation long range electronic field evaluation.