End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach

Mahira Rafiq,Maham Salim, Safia Noreen,Rasheed Ahmad Khera,Sadia Noor,Umer Yaqoob,Javed Iqbal

Journal of Molecular Liquids（2022）

引用 53|浏览7

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摘要

•The designed molecules exhibit excellent photovoltaic characteristics.•All the designed molecules exhibit higher dipole moment.•Designed molecule SM2 and SM1 exhibits higher hole and electron carrier mobility.

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关键词

Optoelectronic parameters,Small donor molecules,Light Harvesting Efficiency,FF,End-capped substitution,PCE

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