类钙钛矿甲酸盐的线性和非线性光学响应
Linear and nonlinear optical responses in perovskite-like formate salts
齐鲁 1冉丛娇 1吴超 1黄智鹏 1张弛1
作者信息
- 1. 同济大学化学科学与工程学院中澳功能分子材料联合研究中心,上海 200092
- 折叠
摘要
采用原位溶剂热法合成了2种混合有机阳离子杂化甲酸盐(CH(NH2)2)[RE(HCOO)4](RE=Y、Er).这2种材料是同构的(手性空间群C2221),并具有有趣的类钙钛矿结构.进行了包括线性和非线性光学特性在内的光物理研究.(CH(NH2)2)[Y(HCOO)4]和(CH(NH2)2)[Er(HCOO)4]分别表现出5.59和5.61 eV的宽光学带隙,对应于222和221 nm的紫外吸收边缘.粉末倍频测量表明,(CH(NH2)2)[Y(HCOO)4]和(CH(NH2)2)[Er(HCOO)4]的倍频效应分别是基准 KH2PO4(KDP)的 0.32 和 0.37倍.测量得到(CH(NH2)2)[Y(HCOO)4]和(CH(NH2)2)[Er(HCOO)4]的双折射率分别为0.013和0.015.第一性原理研究表明,2个π共轭的(CH(NH2)2)+和HCOO-基团是光学性质的主要贡献者.
Abstract
Two mixed organic cationic hybrid formate salts,(CH(NH2)2)[RE(HCOO)4](RE=Y,Er),have been obtained by in situ solvothermal synthesis.The two materials are isostructural(chiral space group C2221)and feature interest-ing perovskite-like structures.Photophysical studies including linear and nonlinear optical characteristics were per-formed.(CH(NH2)2)[Y(HCOO)4]and(CH(NH2)2)[Er(HCOO)4]exhibited wide optical bandgaps of 5.59 and 5.61 eV,corresponding to the UV absorption edges of 222 and 221 nm,respectively.Powder second harmonic generation(SHG)measurements demonstrate that the SHG effects of(CH(NH2)2)[Y(HCOO)4]and(CH(NH2)2)[Er(HCOO)4]were 0.32 and 0.37 times that of benchmark KH2PO4(KDP),respectively.The birefringences were measured to be 0.013 and 0.015 for(CH(NH2)2)[Y(HCOO)4]and(CH(NH2)2)[Er(HCOO)4],respectively.First-principles studies show that two π-conjugated(CH(NH2)2)+and HCOO-groups are the main contributors to the optical properties.CCDC:2312145,(CH(NH2)2)[Y(HCOO)4];2312159,(CH(NH2)2)[Er(HCOO)4].
关键词
类钙钛矿结构/带隙/倍频/双折射/第一性原理Key words
perovskite-like structure/bandgap/second harmonic generation/birefringence/first-principles引用本文复制引用
基金项目
国家自然科学基金(51432006)
国家自然科学基金(52002276)
中国教育部长江学者创新团队计划(IRT14R23)
中国教育部和国家外国专家局高等学校学科创新引智计划(111引智计划)(B13025)
上海市教委创新计划()
出版年
2024
NETL
NSTL
维普
万方数据