Linear regulation of perovskite work function through organic molecular layer surface modification

IF 3.6 2区物理与天体物理 Q2 PHYSICS, APPLIED

Applied Physics Letters Pub Date : 2025-04-07 DOI:10.1063/5.0253275

Xiangxiang Feng, Yang Ding, Yunhao Li, Jinqi Gao, Muhammad Tahir, Mengqiu Long, Mengqiu Cai, Biao Liu, Junliang Yang

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引用次数: 0

Abstract

Surface modification via organic molecular layers is an effective strategy for experimentally regulating the work function (Φ) of perovskites. However, achieving precise control over Φ of perovskites remains a significant challenge. In this study, Φ of the FAPbI3 perovskite surface is quantitatively regulated using anilinium (An) and its derivatives. Three factors contribute to the change in Φ (ΔΦ): surface structure relaxation, surface charge exchange, and modified layer potential difference (ΔV). After the modification of perovskite surface with anilinium (An) and its derivatives, ΔΦ of FAPbI3 correlates linearly with ΔV of the modified layer, as the contribution of surface structure relaxation to ΔΦ is negligible, and the contribution of interfacial charge exchange to ΔΦ remains constant. The experimental results also demonstrated that Φ of perovskite surface can be linearly regulated. In addition, the linear relationship between ΔΦ and ΔV applies to other organic groups and their derivatives, as well as other metal halide perovskites. This methodology offers a practical computational strategy to precisely regulate Φ of the perovskite surface by designing ΔV of the modified layer.

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有机分子层表面修饰对钙钛矿功函数的线性调节

通过有机分子层进行表面改性是实验调节包晶石功函数（Φ）的有效策略。然而，实现对包晶石 Φ 的精确控制仍然是一项重大挑战。本研究利用苯胺（An）及其衍生物对 FAPbI3 包晶表面的Φ进行了定量调节。导致Φ（ΔΦ）变化的因素有三个：表面结构松弛、表面电荷交换和改性层电位差（ΔV）。用苯胺（An）及其衍生物修饰包晶表面后，FAPbI3 的 ΔΦ 与修饰层的ΔV 呈线性相关，因为表面结构松弛对 ΔΦ 的贡献可以忽略不计，而界面电荷交换对 ΔΦ 的贡献保持不变。实验结果还表明，包晶表面的 Φ 可以线性调节。此外，ΔΦ 和 ΔV 之间的线性关系也适用于其他有机基团及其衍生物，以及其他金属卤化物包晶。这种方法提供了一种实用的计算策略，可通过设计修饰层的ΔV 来精确调节包晶表面的Φ。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Applied Physics Letters 物理-物理：应用

CiteScore

6.40

自引率

10.00%

发文量

1821

审稿时长

1.6 months

期刊介绍： Applied Physics Letters (APL) features concise, up-to-date reports on significant new findings in applied physics. Emphasizing rapid dissemination of key data and new physical insights, APL offers prompt publication of new experimental and theoretical papers reporting applications of physics phenomena to all branches of science, engineering, and modern technology. In addition to regular articles, the journal also publishes invited Fast Track, Perspectives, and in-depth Editorials which report on cutting-edge areas in applied physics. APL Perspectives are forward-looking invited letters which highlight recent developments or discoveries. Emphasis is placed on very recent developments, potentially disruptive technologies, open questions and possible solutions. They also include a mini-roadmap detailing where the community should direct efforts in order for the phenomena to be viable for application and the challenges associated with meeting that performance threshold. Perspectives are characterized by personal viewpoints and opinions of recognized experts in the field. Fast Track articles are invited original research articles that report results that are particularly novel and important or provide a significant advancement in an emerging field. Because of the urgency and scientific importance of the work, the peer review process is accelerated. If, during the review process, it becomes apparent that the paper does not meet the Fast Track criterion, it is returned to a normal track.