A Niobium Oxyiodate Sulfate with a Strong Second‐Harmonic‐Generation Response Built by Rational Multi‐Component Design | Zendy

Tang HongXin | Zendy; Zhang YuXiao | Zendy; Zhuo Chao | Zendy; Fu RuiBiao | Zendy; Lin Hua | Zendy; Ma ZuJu | Zendy; Wu XinTao | Zendy

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A Niobium Oxyiodate Sulfate with a Strong Second‐Harmonic‐Generation Response Built by Rational Multi‐Component Design

Author(s) -

Tang HongXin,

Zhang YuXiao,

Zhuo Chao,

Fu RuiBiao,

Lin Hua,

Ma ZuJu,

Wu XinTao

Publication year - 2019

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201813122

Subject(s) - niobium , second harmonic generation , hydrothermal circulation , component (thermodynamics) , materials science , hydrothermal synthesis , sulfate , rational design , density functional theory , optoelectronics , topology (electrical circuits) , laser , nanotechnology , chemical engineering , chemistry , optics , computational chemistry , physics , metallurgy , thermodynamics , engineering , mathematics , combinatorics

A novel niobium oxyiodate sulfate, Nb 2 O 3 (IO 3 ) 2 (SO 4 ), was fabricated by a rational multi‐component design under moderate hydrothermal conditions. This multi‐component design is inspired by an interesting niobium oxysulfate reaction, which opens a new door for synthetic method to effectively introduce refractory metals such as Nb into crystal structures by hydrothermal synthesis. Nb 2 O 3 (IO 3 ) 2 (SO 4 ) features a cube‐like topological structure with a large phase‐matching second harmonic generation (SHG) response (6×KDP), a wide transparency window (0.38–8 μm), and a high laser damage threshold (LDT) (20×AgGaS 2 ). It has the highest thermostability (stable up to 580 °C under air) among reported non‐centrosymmetric (NCS) iodates and sulfates and is stable in water and even concentrated H 2 SO 4 . Furthermore, Nb 2 O 3 (IO 3 ) 2 (SO 4 ) is a unique nonlinear optical (NLO) material among iodates and sulfates, because its SHG effect is mainly caused by the MO 6 units rather than the IO 3 or SO 4 units, which is demonstrated by density functional theory (DFT) calculations.

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