Adsorption and gas-sensing properties of SF6 decomposition components (SO2, SOF2 and SO2F2) on Co or Cr modified GeSe monolayer: a DFT study

J Chen, L Jia, X Cui, W Zeng, Q Zhou - Materials Today Chemistry, 2023 - Elsevier
This paper first proposed to modify the GeSe monolayer by doping Co and Cr atoms and
investigated the potential application in the monitoring SF 6 insulation equipment. The …

Ultra-sensitive triethylamine gas sensor based on ZnO/MoO3 heterostructures with ppb level detection

S Zhang, P Song, Q Wang, Y Ding - Sensors and Actuators B: Chemical, 2023 - Elsevier
Selective detection of Triethylamine (TEA) is of great significance for environmental
monitoring and daily life. In this work, ZnO/MoO 3 heterostructures with ultra-sensitive and …

TiO2 Gas Sensors Combining Experimental and DFT Calculations: A Review

Z Yan, Y Zhang, W Kang, N Deng, Y Pan, W Sun, J Ni… - Nanomaterials, 2022 - mdpi.com
Gas sensors play an irreplaceable role in industry and life. Different types of gas sensors,
including metal-oxide sensors, are developed for different scenarios. Titanium dioxide is …

Adsorption and gas sensing properties of Cun and Pdn (n= 1–3) clusters modified MoSe2 for lithium battery thermal runaway gases

H Wu, J Fang, S Yuan, Y Liu, J Zeng, T Jiang - Applied Surface Science, 2024 - Elsevier
The manuscript mainly explores the adsorption behavior and related parameters of Cu n
and Pd n (n= 1–3) clusters modified MoSe 2 substrates for thermal runaway gases (CO, CO …

Adsorption and gas-sensing performances of C2H2, C2H4, CO, H2 in transformer oil on Pt-doped MoTe2 monolayer: A DFT study

T Jiang, W Zhang, T Zhang, H Yuan, M Bi… - Physica E: Low …, 2023 - Elsevier
In this paper, the DFT method is employed to analyze the sensing and adsorption
performance intrinsic MoTe 2 and Pt doped MoTe 2 to the characteristic oil dissolved gases …

Pd, Rh-decorated Se-vacancy MoSe2 monolayer: A promising candidate for sensing and detecting SO2F2, SOF2, H2S and SO2

TY Sang, T Li, Y Yang, Y Song, H Tian, R Song… - Surfaces and …, 2022 - Elsevier
Owing to the decomposition gases created by the breakdown of insulation gas induced by
partial discharge poses a major threat to high-voltage insulation equipment and human …

Pd, Ni, Cu and Ag modified SnS: A potential candidate for NH3 and NO2 detection and scavenging

TY Sang, H Sun, T Li, Y Yang, Z Wang, Z Zhang… - Applied Surface …, 2023 - Elsevier
NO 2 and NH 3 chronically pose serious concerns to the security of industrial production and
human health, thus it is essential to accomplish real-time monitoring of harmful gases. In this …

Highly Sensitive Gas Sensor for Detection of Air Decomposition Pollutant (CO, NOx): Popular Metal Oxide (ZnO, TiO2)-Doped MoS2 Surface

M Wang, Q Zeng, J Cao, D Chen, Y Zhang… - … Applied Materials & …, 2024 - ACS Publications
When partial discharges occur in air-insulated equipment, the air decomposes to produce a
variety of contamination products, resulting in a reduction in the insulation performance of …

Adsorption of dissolved gases (CO, H2, CO2) produced by partial discharge in converter transformer oil by CuO (1, 2) and Ag2O (1, 2) clusters doped with MoTe2: A …

T Jiang, H Xie, H Wu, L Chen, M Bi, X Chen - Materials Today …, 2024 - Elsevier
Density functional theory (DFT) was used to analyze the effect of (CuO) n,(Ag 2 O) n (n= 1, 2)
cluster-doped MoTe 2 on the three gases (CO, H 2 and CO 2) adsorption performance and …

Adsorption and sensing performance of vented gases from lithium-ion batteries on transition-metal-doped GeTe nanosheets: A DFT investigation

W Zhang, J Tang, H Yuan, K Li, H Liu… - ACS Applied Nano …, 2023 - ACS Publications
Online monitoring of vented gases released by lithium-ion batteries (LIBs) during the early
stages of thermal runaway is a potential method for ensuring the operational state of LIBs …