High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification
(Q = S, Se, Te) shows wide band gaps (1. 55-2.82 eV), suitable birefringence (0.06-0.08), and strong NLO responses (2.2-5 × AGS). This work provides an effective pathway for accelerating the discovery of high-performance optoelectronic materials.
Authors
- Daqing Yang (ORCID: https://orcid.org/0000-0002-3982-0263)
- Yue Wang (ORCID: https://orcid.org/0000-0003-0098-5359)
- Zhaoxi Yu
- Yumiao Niu
- Bingbing Zhang
- Lin Shen
- Yidan Chen
- Yan Xiao
Institutions
- Yantai University (CN)
- Beijing Normal University (CN)
- Hebei University (CN)
Publication Details
- Journal
- Angewandte Chemie International Edition
- Published
- 2026-04-24
- DOI
- https://doi.org/10.1002/anie.2407356
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Natural Science Foundation of Hebei Province