Cationic Modification in Hybrid Iodates: A Pathway to Superior Performance

作者：Jingjing Zhao, Shu‐Fang Li, Meng-Han Lv, Jiaxin Wang, Ru‐Ling Tang, Hongbo Huang, Bingbing Zhang, Dong Yan · 发表于：Inorganic Chemistry · 年份：2025 · DOI：10.1021/acs.inorgchem.4c05135 · 被引用次数：11 · 研究领域：Crystal Structures and Properties、Luminescence Properties of Advanced Materials、Crystal structures of chemical compounds

The utilization of nonlinear optical (NLO) crystals plays a crucial role in the contemporary laser industry, and the advancement of novel NLO-active units is essential for the exploration of NLO materials. Two novel organic–inorganic hybrid iodates, designated as (C 3 N 2 H 5 ) 2 Mo 2 O 5 (IO 3 ) 4 ·3H 2 O ( 1 ) and (C 3 N 2 I 2 H 3 ) 2 Mo 2 O 5 (IO 3 ) 4 ·4H 2 O ( 2 ) were synthesized via mild hydrothermal methods, exhibiting band gaps of 3.75 and 3.00 eV, SHG response of 1.3 and 3.5 times that of KDP, and birefringence of 0.143 and 0.254@ 550 nm, respectively. The optical property enhancement can be attributed to the cationic modification strategy, as corroborated by the results of theoretical calculations.