From thiophosphate to chalcohalide: mixed-anion AgS < sub > < em > x < /em > < /sub > Cl < sub > < em > y < /em > < /sub > ligands concurrently enhancing nonlinear optical effects and laser-damage threshold

In this study, we propose a new design strategy that introduces unique mixed-anion AgSxCly ligands into thiophosphate to afford a successful synthesis of a promising Ag5PS4Cl2 IR NLO chalcohalide. Compared with chlorine-free Ag3PS4, Ag5PS4Cl2 undergoes overall performance enhancement and achieves a good balance between large NLO effect (2.0 × Ag3PS4) and high laser damage threshold (3.8 × Ag3PS4). Theoretical analysis further indicates that AgSxCly groups are the new superior NLO-active units since they can maintain the wide bandgap while concurrently making a great contribution to the origin of NLO effects. Therefore, the incorporation of AgSxCly groups into the crystal structure can be expected to be one feasible way to design new IR NLO candidates with excellent performance.PMID:34308948 | DOI:10.1039/d1cc02656a

Source: Chemical Communications - July 26, 2021 Category: Chemistry Authors: Lihua Gao Yu Chu Xiaowen Wu Bingbing Zhang Kui Wu Source Type: research