人工晶体学报2026，Vol.55Issue(5)：746-752,7.DOI:10.16553/j.cnki.issn1000-985x.2025.0256
规避逆同位素效应并协同调节钙钛矿硬度与提升热稳定性
Avoidance of Inverse Isotope Effect and Synergistic Adjustment of Perovskite Hardness Coupled with Improvement of Thermal Stability
摘要
Abstract
Perovskite materials show broad prospects in the field of new photovoltaic devices and high-performance photodetectors due to their excellent photoelectric conversion efficiency and adjustable band gap characteristics.However,perovskite has the problem of insufficient long-term stability under actual working conditions,which seriously restricts its large-scale commercial application.To address this critical bottleneck,this study proposed a molecular engineering strategy based on methyl deuteration(—CD3),which selectively replaced the hydrogen atoms on the methyl terminus of organic cations(CH3NH3+)in perovskites with deuterium(D)isotopes.This approach systemically enhances material stability without significantly altering the electronic structure of the material.Compared with the traditional deuteration treatment of the ammonium(—NH3)site,the methyl deuteration strategy effectively avoids the inverse isotope effect that may arise from quantum tunneling effect of N-D bonds,thereby precluding the risk of potential stability decline.This study reveales that the introduction of deuterium atoms enables the modulation of material hardness and enhances its thermal stability.At the level of carrier dynamics,deuteration effectively suppresses the dynamic disorder of the crystal,thereby significantly enhancing the carrier lifetime of the material.关键词
钙钛矿/甲基氘代/同位素效应/能带调控/抑制结构无序性Key words
perovskite/methyl deuteration/isotope effect/band gap regulation/structural disorder分类
数理科学引用本文复制引用
李卓越,杨梦柯,周思圻,张剑锋,马运东,胡子钰,郑国宗..规避逆同位素效应并协同调节钙钛矿硬度与提升热稳定性[J].人工晶体学报,2026,55(5):746-752,7.基金项目
福建省青年科技人员育成项目(2025350152) （2025350152）
