Molecular modification of MAPbI<sub>3</sub> surface: insights from first-principles theory studies

Ye, Xin; Ou, Wen; Ai, Bin; Zhou, Yecheng

doi:10.1039/d3cp03200k

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp03200k

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Molecular modification of MAPbI₃ surface: insights from first-principles theory studies

Xin Ye,

Wen Ou,

Bin Ai

et al.

Abstract: A systematic first-principles investigation of molecular perovskite surface modification based on a series of representative functional groups.

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Molecular modification of MAPbI₃ surface: insights from first-principles theory studies

Abstract: A systematic first-principles investigation of molecular perovskite surface modification based on a series of representative functional groups.

Cited by 2 publications

References 53 publications

Effects of the anchoring group of benzophenone-based passivating molecules on the interfacial properties of perovskite

Effects of the anchoring group of benzophenone-based passivating molecules on the interfacial properties of perovskite

Explainable optimized 3D-MoRSE descriptors for the power conversion efficiency prediction of molecular passivated perovskite solar cells through machine learning

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Molecular modification of MAPbI3 surface: insights from first-principles theory studies

Abstract: A systematic first-principles investigation of molecular perovskite surface modification based on a series of representative functional groups.

Cited by 2 publications

References 53 publications

Effects of the anchoring group of benzophenone-based passivating molecules on the interfacial properties of perovskite

Effects of the anchoring group of benzophenone-based passivating molecules on the interfacial properties of perovskite

Explainable optimized 3D-MoRSE descriptors for the power conversion efficiency prediction of molecular passivated perovskite solar cells through machine learning

Contact Info

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Molecular modification of MAPbI₃ surface: insights from first-principles theory studies