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Suppressing Nonradiative Recombination by Electron-Donating Substituents in 2D Conjugated Triphenylamine Polymers toward Efficient Perovskite Optoelectronics
Nano Letters ( IF 9.6 ) Pub Date : 2023-02-15 , DOI: 10.1021/acs.nanolett.2c05106 Lili Xu 1 , Haifeng Zheng 2 , Bo Xu 1 , Gaoyu Liu 1 , Shengli Zhang 1 , Haibo Zeng 1
Nano Letters ( IF 9.6 ) Pub Date : 2023-02-15 , DOI: 10.1021/acs.nanolett.2c05106 Lili Xu 1 , Haifeng Zheng 2 , Bo Xu 1 , Gaoyu Liu 1 , Shengli Zhang 1 , Haibo Zeng 1
Affiliation
Highly efficient perovskite optoelectronics (POEs) have been limited by nonradiative recombination. We report a strategy to inhibit the nonradiative recombination of 2D triphenylamine polymers in the hole transport layer (HTL) via introducing electron-donating groups to enhance the conjugation effect and electron cloud density. The conjugated systems with electron-donating groups present smaller energy level oscillation compared to the ones with electron-absorbing groups, as confirmed by nonadiabatic molecular dynamics (NAMD) calculation. Further study reveals that the introduction of low-frequency phonons in the electron-donating group systems shortens the nonadiabatic coupling and inhibits the nonradiative recombination. Such electron-donating groups can decrease the valence band maximum of 2D polymers and promote hole transport. Our report provides a new design strategy to suppress nonradiative recombination in HTL for application in efficient POEs.
中文翻译:
通过二维共轭三苯胺聚合物中的给电子取代基抑制非辐射复合,实现高效的钙钛矿光电
高效钙钛矿光电 (POE) 受到非辐射复合的限制。我们报告了一种策略,通过引入给电子基团来增强共轭效应和电子云密度,从而抑制空穴传输层 (HTL) 中二维三苯胺聚合物的非辐射复合。非绝热分子动力学 (NAMD) 计算证实,与吸电子基团相比,具有供电子基团的共轭系统呈现出更小的能级振荡。进一步的研究表明,在给电子基团系统中引入低频声子会缩短非绝热耦合并抑制非辐射复合。这种给电子基团可以降低二维聚合物的价带最大值并促进空穴传输。
更新日期:2023-02-15
中文翻译:
通过二维共轭三苯胺聚合物中的给电子取代基抑制非辐射复合,实现高效的钙钛矿光电
高效钙钛矿光电 (POE) 受到非辐射复合的限制。我们报告了一种策略,通过引入给电子基团来增强共轭效应和电子云密度,从而抑制空穴传输层 (HTL) 中二维三苯胺聚合物的非辐射复合。非绝热分子动力学 (NAMD) 计算证实,与吸电子基团相比,具有供电子基团的共轭系统呈现出更小的能级振荡。进一步的研究表明,在给电子基团系统中引入低频声子会缩短非绝热耦合并抑制非辐射复合。这种给电子基团可以降低二维聚合物的价带最大值并促进空穴传输。