We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction.
- Authors
Kang, Lei; Zhang, Xinyuan; Liang, Fei; Lin, Zheshuai; Huang, Bing
- Abstract
A novel concept to obtain the deep‐ultraviolet (DUV) nonlinear optical (NLO) materials is proposed based on the assembling of one‐dimensional (1D) polar motifs into quasi‐1D polymer patterns. Based on the first‐principles calculations, we have successfully discovered an excellent DUV NLO polymer, i.e. poly(difluorophosphazene), with the chemical formula of (PNF2)n. Calculations reveal that PNF2 has a larger band gap, a stronger second harmonic generation effect, a larger birefringence, and a shorter phase‐matching cutoff than KBe2BO3F2. These findings not only demonstrate that the PNF2 is the first reported DUV NLO polymer, but also could open a new direction to discover novel DUV NLO materials in polymer systems.
- Subjects
SECOND harmonic generation; POLYMERS; CHEMICAL formulas
- Publication
Angewandte Chemie, 2019, Vol 131, Issue 30, p10356
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.201905025