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柠檬酸配体改善绿光钙钛矿发光二极管发光效率OA

Citric Acid Ligands for Enhancing Efficiency of Green Perovskite Light-emitting Diodes

中文摘要英文摘要

金属卤化物钙钛矿纳米晶(CsPbX3)因其优异的光电特性成为显示技术的理想候选材料,但传统长链配体(如油酸/油胺)的弱配位性与长链结构导致表面缺陷及载流子传输受限,制约了发光二极管(PeLED)性能提升.本研究开发了短链、强螯合性柠檬酸(CA)配体,通过羧酸基(—COOH)和羟基(—OH)与CsPbBr3表面形成配位键及氢键,实现了纳米晶表面缺陷的高效钝化.实验与密度泛函理论(DFT)计算表明,柠檬酸配体的吸附能显著高于传统油酸/油胺配体,促使纳米晶尺寸分布均一化,光致发光量子效率(PLQY)显著提升,非辐射复合速率大幅下降.基于柠檬酸改性CsPbBr3纳米晶构建的绿光钙钛矿发光二极管器件展现出优异的电致发光性能,峰值外量子效率(EQE)和电流效率分别提升至13.58%和42.93 cd/A.本研究发展的低成本配体工程策略为钙钛矿表面调控提供了新方法,为拓展光电探测器、太阳能电池等光电子器件应用奠定了基础.

Metal halide perovskite nanocrystals(CsPbX3)have emerged as promising candidate materials for dis-play technologies due to their excellent optoelectronic properties.However,the weak coordination and long-chain structure of conventional ligands,such as oleic acid and oleylamine(OA/OLA),result in surface defects and hin-dered carrier transport,which significantly limit the performance enhancement of perovskite light-emitting diodes(PeLEDs).In this study,a short-chain,strongly chelating citric acid(CA)ligand was introduced.This ligand forms both coordination bonds and hydrogen bonds with the CsPbBr3 surface through its carboxyl(—COOH)and hydroxyl(—OH)functional groups,effectively passivating surface defects of the nanocrystals.Experimental results combined with density functional theory(DFT)calculations demonstrate that the adsorption energy of citric acid ligands is considerably higher than that of traditional OA/OLA ligands.This leads to a more uniform nanocrystal size distribution,significantly enhanced photoluminescence quantum yield(PLQY),and a substantial reduction in the non-radiative recombination rate.Green-emitting PeLEDs based on citric acid-modified CsPbBr3 nanocrystals exhibit excellent electroluminescent performance,achieving a peak external quantum efficiency(EQE)of 13.58%and a peak current efficiency of 42.93 cd/A.This study presents a novel strategy for surface defect engineering of perovskites through cost-effective ligand design,and the multidentate chelating mechanism may be applicable to oth-er optoelectronic devices such as photodetectors and solar cells.

白雯昊;任冠华;宋坤洁;迪达尔·叶尔扎提;周嘉婧;宣曈曈;解荣军

厦门大学材料学院,福建厦门 361005||厦门大学物理科学与技术学院,福建厦门 361005厦门大学材料学院,福建厦门 361005厦门大学材料学院,福建厦门 361005厦门大学材料学院,福建厦门 361005厦门大学材料学院,福建厦门 361005厦门大学材料学院,福建厦门 361005||厦门大学深圳研究院,广东 深圳 518000厦门大学材料学院,福建厦门 361005||厦门大学深圳研究院,广东 深圳 518000

数理科学

钙钛矿发光二极管配体外量子效率

perovskitelight-emitting diodeligandsexternal quantum efficiency

《发光学报》 2026 (2)

258-266,9

国家自然科学基金(523B2016,12374385)广东省基础与应用基础研究基金(2023A1515030004)深圳市科技计划(JCYJ20230807091404009)中央高校基本科研业务费专项资金(20720250116)福建省优秀博士后支持专项Supported by National Natural Science Foundation of China(523B2016,12374385)Guangdong Basic and Applied Basic Research Foundation(2023A1515030004)Shenzhen Science and Technology Program(JCYJ20230807091404009)the Fun-damental Research Funds for the Central Universities(20720250116)Fujian Province Excellent Postdoctoral Support Special Program

10.37188/CJL.20250240

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