Rational design of interfacial sp C─S─Zn hybridization in ZnS/graphdiyne for mercury vapor capture.

Pan, Chuanqi; Jie, Cui; Xia, Ziheng; Xu, Kaiyue; Yao, Yuan; Li, Honghu · Sci Adv · 2026

basic_science · Level V

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Abstract

Capturing gaseous mercury (Hg<sup>0</sup>) from complex flue gases remains a common yet persistent issue. Here, the one-step hydrothermal method is adopted to synthesize zinc sulfide/graphdiyne (ZnS/GDY) nano adsorbents for efficient Hg vapor capture via a rational design of sp C─S─Zn hybridization on the interface. The research results indicate that GDY can gain electrons from ZnS though sp C─S─Zn bonds, which facilitates charge transfer and induces the generation of highly active Hg adsorption sites near sulfur defects (S<sub>v</sub>). The fabricated ZnS/GDY adsorbent can achieve a Hg<sup>0</sup> removal efficiency of 98% and exhibits excellent resistance to 1500 parts per million high-concentration sulfur dioxide (SO<sub>2</sub>) constraints (maintaining a removal efficiency of 90.9%). Moreover, the commercial glass compound fiber filter (FMS) media coated with ZnS/GDY shows potential for application in bag filter systems. About 80% of Hg<sup>0</sup> can be removed by ZnS/GDY@FMS, even under conditions of high SO<sub>2</sub> concentration and in the presence of dust. Our work demonstrates that efficient Hg<sup>0</sup> removal efficiency under high-concentration SO<sub>2</sub> can be achieved by interfacial chemical bond engineering and provides guidance for functional carbon-based material design.