Li Xinchao, Chang Xiao, Liu Xianghong, Ju Xiaolei, Zhang Jun
College of Physics, Qingdao University, Qingdao 266071, China.
J Phys Chem Lett. 2024 Oct 17;15(41):10307-10313. doi: 10.1021/acs.jpclett.4c02438. Epub 2024 Oct 4.
Metal sulfides have been extensively studied in the field of chemical sensors working at room temperature (RT). However, compared to metal oxides, metal sulfides often suffer from incomplete recovery and unsatisfactory selectivity. In this work, we for the first time report the high-entropy sulfide (HES) (FeCoNiCrMn)S, prepared by the solvothermal method, is a promising candidate for utilization as the sensitive layer in gas sensors. Unlike traditional single-metal sulfides, this HES (FeCoNiCrMn)S exhibits reversible recovery for NO at RT as well as excellent selectivity. To unveil the sensing mechanism, we simulated the adsorption and charge transfer between (FeCoNiCrMn)S and gas molecules by the density functional theory (DFT) calculation, revealing the reason (FeCoNiCrMn)S is uniquely selective to NO. This work explores the application potential of HES (FeCoNiCrMn)S as an RT sensor and enriches the material selection for NO sensors.
金属硫化物在室温(RT)工作的化学传感器领域已得到广泛研究。然而,与金属氧化物相比,金属硫化物常常存在恢复不完全和选择性不理想的问题。在这项工作中,我们首次报道了通过溶剂热法制备的高熵硫化物(HES)(FeCoNiCrMn)S,它有望作为气体传感器的敏感层。与传统的单金属硫化物不同,这种HES(FeCoNiCrMn)S在室温下对NO表现出可逆恢复以及优异的选择性。为了揭示传感机制,我们通过密度泛函理论(DFT)计算模拟了(FeCoNiCrMn)S与气体分子之间的吸附和电荷转移,揭示了(FeCoNiCrMn)S对NO具有独特选择性的原因。这项工作探索了HES(FeCoNiCrMn)S作为室温传感器的应用潜力,并丰富了NO传感器的材料选择。