Experimental Sensing and Density Functional Theory Study of H2S and SOF2 Adsorption on Au‐Modified Graphene

Advanced Science

Xiaoxing Zhang¹  Lei Yu¹  Xiaoqing Wu¹ 

[1] State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Shapingba District, Chongqing, P.R. China

关键词: adsorption;    Au‐modified graphene;    DFT calculations;    SF6 decomposed gas;    surface interaction;   

DOI  :  10.1002/advs.201500101

来源: Wiley

【 摘 要 】

Abstract

A gas sensor is used to detect SF₆ decomposed gases, which are related to insulation faults, to accurately assess the insulated status of electrical equipment. Graphene films (GrF) modified with Au nanoparticles are used as an adsorbent for the detection of H₂S and SOF₂, which are two characteristic products of SF₆ decomposed gases. Sensing experiments are conducted at room temperature. Results demonstrate that Au-modified GrF yields opposite responses to the tested gases and is thus considered a promising material for developing H₂S- and SOF₂-selective sensors. The first-principles approach is applied to simulate the interaction between the gases and Au-modified GrF systems and to interpret experimental data. The observed opposite resistance responses can be attributed to the charge-transfer differences related to the interfacial interaction between the gases and systems. The density of states and Mulliken population analysis results confirm the apparent charge transfer in Au-modified GrF chemisorption, whereas the van der Waals effect dominates the pristine graphene adsorption systems. Calculation results can also explicate the significant SOF₂ responses on Au-modified GrF. This work is important in graphene modulation and device design for selective detection.

【 授权许可】

CC BY   
© 2015 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.