Analysis of the sensing performance of Ag-doped Ti3C2O2 MXene for characteristic gases in transformer oil
Year: 2025
Type: article
Abstract: Using the DMol 3 module of Material Studio, first-principles calculations were performed to analyze the sensing performance of Ti 3 C 2 O 2 and Ag-doped Ti 3 C 2 O 2 for dissolved gases in oil. Research data indicate that the adsorption energies of Ti 3 C 2 O 2 for CO before and after Ag doping are −0.232 eV and − 1.194 eV, respectively. The introduction of Ag enhances charge transfer from CO gas to the material, thereby improving the adsorption performance of the material for CO. The adsorption energies for CO 2 on Ti 3 C 2 O 2 and Ag-Ti 3 C 2 O 2 are −0.329 eV and − 0.320 eV, respectively. For CH 4 , these values are −0.278 eV and − 0.370 eV, respectively.
Source: Chemical Physics
Authors: Zhengfu Teng, Cheng Lv
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,690
OpenAlex ID: W4409248596