[NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties
學年 108
學期 1
出版(發表)日期 2020-01-01
作品名稱 [NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties
作品名稱(其他語言)
著者 Zhongqi Jiang; Wenqiang Chen; Qun Jing; Ming-Hsien Lee; Zhaohui Chen
單位
出版者
著錄名稱、卷期、頁數 Inorganica Chimica Acta 499, 119198
摘要 Phosphates usually have shorter ultraviolet (UV) absorption edges and are ideal for deep-UV nonlinear optical (NLO) applications. The introduction of d0 transition metal cation Mo6+ into phosphates can facilitate to increase the distortion of the crystal structure and therefore it is easy to obtain the noncentrosymmetric (NCS) compounds, which are expected for NLO materials. In the work, the crystals of an ammonium molybdenophosphate chloride [NH4]12[(Mo2)2O(HPO4)2]4[PO4]Cl·0.5H2O (AMPC) were grown by hydrothermal method. The second harmonic generation (SHG) of the compound exhibits 0.3 × KH2PO4 (KDP) at 1064 nm radiation and the cutoff edge of it is about 230 nm. The crystal structure is consist of unique [Mo4P4O32H4]16− units and further to form layer two-dimensional (2D) structure. The first-principles electronic structure calculations show that the NLO response of it mainly comes from the Mo-O units. We also studied UV–vis-NIR diffuse reflectance, infrared spectrum and thermal properties of the compound. Additional, by the investigation of similar phosphomolybdates, we found that they have high ratios of NCS crystal structures about 39%.
關鍵字 Phosphomolybdates;Nonlinear optical properties;Theory calculations;Noncentrosymmetric
語言 en
ISSN 1873-3255
期刊性質 國外
收錄於 SCI
產學合作
通訊作者 Qun Jing
審稿制度
國別 CHE
公開徵稿
出版型式 ,電子版,紙本
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機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/118690 )