Pt, Pd and Au decorated reduced graphene oxide: Sensing properties for phenol gas detection at room temperature

被引：2
|
作者：
Korucu, Seyma [1 ]
Kose, Ahmet [1 ]
Fellah, M. Ferdi [1 ]
机构：
[1] Bursa Tech Univ, Dept Chem Engn, Mimar Sinan Campus, TR-16310 Bursa, Turkiye
来源：
SYNTHETIC METALS | 2024年 / 306卷
关键词：
Reduced Graphene Oxide; RGO; DFT; Phenol; Adsorption; Sensor; 1ST PRINCIPLES; AB-INITIO; DFT; ADSORPTION; HARDNESS; ENERGY; ATOM;
D O I：
10.1016/j.synthmet.2024.117623
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The adsorbent and sensor properties of metal decorated (Pt, Au and Pd) reduced graphene oxide (rGO) structures for phenol gas were investigated using Density Functional Theory (DFT) method with WB97XD formalism. The NBO charge values suggest the occurrence of charge transfer from the phenol molecule to the rGO structures. After the adsorption of phenol, the HOMO-LUMO gap values of the Pt-decorated rGO structure were observed to decrease, while the work function values of the Pt-decorated rGO structure were found to increase. The recovery time for phenol molecule on the Pt-rGO structure was determined to be 0.0019 seconds. These results imply that the Pt-decorated rGO structure can function as a work function sensor in addition to an electronic sensor for phenol gas molecule.
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页数：13
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