Polyhedral silver clusters as single molecule ammonia sensor based on charge transfer-induced plasmon enhancement  

作　　者：陈九环 程新路 Jiu-Huan Chen;Xin-Lu Cheng(Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China;Key Laboratory of High Energy Density Physics and Technology of Ministry of Education,Sichuan University,Chengdu 610065,China)

机构地区：[1]Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China [2]Key Laboratory of High Energy Density Physics and Technology of Ministry of Education,Sichuan University,Chengdu 610065,China

出　　处：《Chinese Physics B》2023年第1期448-453,共6页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant Nos.11774248 and 11974253);the National Key Research and Development Program of China (Grant No.2017YFA0303600)。

摘　　要：The unique plasmon resonance characteristics of nanostructures based on metal clusters have always been the focus of various plasmon devices and different applications. In this work, the plasmon resonance phenomena of polyhedral silver clusters under the adsorption of NH_(3) , N_(2), H_(2), and CH_(4) molecules are studied by using time-dependent density functional theory. Under the adsorption of NH_(3) , the tunneling current of silver clusters changes significantly due to the charge transfer from NH_(3) to silver clusters. However, the effects of N_(2), H_(2), and CH_(4) adsorption on the tunneling current of silver clusters are negligible. Our results indicate that these silver clusters exhibit excellent selectivities and sensitivities for NH_(3) detection. These findings confirm that the silver cluster is a promising NH_(3) sensor and provide a new method for designing high-performance sensors in the future.

关 键 词：AMMONIA Ag clusters PLASMON tunneling current spectrum 

分 类 号：TB383.1[一般工业技术—材料科学与工程] TP212[自动化与计算机技术—检测技术与自动化装置]