密度泛函理论
反键分子轨道
拉曼光谱
分子
吸附
纳米技术
惰性气体
化学
材料科学
化学物理
光电子学
电子
物理
原子轨道
计算化学
物理化学
有机化学
量子力学
光学
作者
Xu Jia,Panzhe Qiao,Xiaowu Wang,Muyu Yan,Yang Chen,Bao‐Li An,Pengfei Hu,Bo Lü,Jingyi Xu,Zhenggang Xue,Jiaqiang Xu
标识
DOI:10.1007/s40820-024-01350-3
摘要
Abstract Reasonably constructing an atomic interface is pronouncedly essential for surface-related gas-sensing reaction. Herein, we present an ingenious feedback-regulation system by changing the interactional mode between single Pt atoms and adjacent S species for high-efficiency SO 2 sensing. We found that the single Pt sites on the MoS 2 surface can induce easier volatilization of adjacent S species to activate the whole inert S plane. Reversely, the activated S species can provide a feedback role in tailoring the antibonding-orbital electronic occupancy state of Pt atoms, thus creating a combined system involving S vacancy-assisted single Pt sites (Pt-Vs) to synergistically improve the adsorption ability of SO 2 gas molecules. Furthermore, in situ Raman, ex situ X-ray photoelectron spectroscopy testing and density functional theory analysis demonstrate the intact feedback-regulation system can expand the electron transfer path from single Pt sites to whole Pt-MoS 2 supports in SO 2 gas atmosphere. Equipped with wireless-sensing modules, the final Pt 1 -MoS 2 -def sensors array can further realize real-time monitoring of SO 2 levels and cloud-data storage for plant growth. Such a fundamental understanding of the intrinsic link between atomic interface and sensing mechanism is thus expected to broaden the rational design of highly effective gas sensors.
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