Computational approaches to enhance charge transfer and stability in TPBi–(PEA)<sub>2</sub>PbI<sub>4</sub> perovskite interfaces through molecular orientation optimization

Naqvi, Syed Muhammad Kazim Abbas; Zhu, Yanan; Long, Hui; Nazir, Zahid; Vasiliev, Roman B.; Kulakovich, Olga; Chang, Shuai

doi:10.1039/d4na00186a

Nanoscale Adv.

2024

DOI: 10.1039/d4na00186a

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Computational approaches to enhance charge transfer and stability in TPBi–(PEA)₂PbI₄ perovskite interfaces through molecular orientation optimization

Syed Muhammad Kazim Abbas Naqvi,

Yanan Zhu,

Hui Long

et al.

Abstract: Computational studies reveal the optimized range of TPBi molecule orientations for enhanced binding stability and improved charge transfer kinetics at the TPBi–(PEA)2PbI4 interface.

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Computational approaches to enhance charge transfer and stability in TPBi–(PEA)₂PbI₄ perovskite interfaces through molecular orientation optimization

Abstract: Computational studies reveal the optimized range of TPBi molecule orientations for enhanced binding stability and improved charge transfer kinetics at the TPBi–(PEA)2PbI4 interface.

Cited by 0 publications

References 68 publications

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Computational approaches to enhance charge transfer and stability in TPBi–(PEA)2PbI4 perovskite interfaces through molecular orientation optimization

Abstract: Computational studies reveal the optimized range of TPBi molecule orientations for enhanced binding stability and improved charge transfer kinetics at the TPBi–(PEA)2PbI4 interface.

Cited by 0 publications

References 68 publications

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Computational approaches to enhance charge transfer and stability in TPBi–(PEA)₂PbI₄ perovskite interfaces through molecular orientation optimization