Surface reaction mechanisms research of Titanium disulfide particle modified C3N nanosheet to fault gases in oil-immersed transformers

The challenging operating conditions of oil-immersed transformers, the partial discharge events surveillance holds critical significance. To harness the remarkable physicochemical properties of C3N, this study proposes the utilization of nTiS2 (n = 1, 2) particle-modified C3N for the oil dissolved gases (H2, C2H2, and CH4) detection. Employing density functional theory, the investigation comprehensively explores the adsorption mechanisms, electrical characteristics, and sensing behavior of nTiS2 nanosheets with the target gases, utilizing the analysis of adsorption energy, density of states, and charge density difference. The analysis reveals that nTiS2 particles possess the capability to activate the nanosheets surface reactivity, leading to enhanced conductivity and improved adsorption capacity. The modified nanosheets exhibit a significant reduction in band gap by 0.268 eV and 0.213 eV. Different target gases exhibit distinct adsorption characteristics, with H2 and CH4 demonstrating physical adsorption behavior, while C2H2 exhibits chemical adsorption behavior, wherein nTiS2 demonstrates strong adsorption capabilities specifically towards C2H2. Under ambient conditions, H2 and CH4 exhibit favorable recovery times. These findings highlight the efficacy of modifying C3N with TiS2 particles in facilitating the monitoring of partial discharge events in oil-immersed transformers, thereby establishing a robust theoretical foundation for the innovative sensor advancement.