期刊
CHEMICAL COMMUNICATIONS
卷 55, 期 44, 页码 6257-6260出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cc02990g
关键词
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资金
- NSFC [51890864, 51872297, 51702330, 51802321]
- Fujian Institute of Innovation [FJCXY18010201]
Compact and reliable all-solid-state solar-blind lasers based on nonlinear optical conversion are opening the door to new industrial applications of lasers. Herein, we proposed the cyanuric acid molecule, benefiting from its wide band gap, considerable optical anisotropy, and strong binding interaction resulting from hydrogen bonds, to be a superior building block for solar-blind NLO crystals. Taking the co-crystal LiCl center dot (H3C3N3O3) as an example, our first-principles studies predicted this crystal to display a short UV transparent edge of 215 nm, strong optical anisotropy (Delta n similar to 0.28), and a secondorder coefficient (d(22) = 4.15 pm V-1) greater than those of all other investigated solar-blind NLO crystals.
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