Density Functional Theory Investigation of Pristine and Ni-Doped CeO2 (110) for C2H4 Detection Based on Optimized Work Functions

D Lu, L Huang, J Zhang, W Zeng… - ACS Applied Nano …, 2024 - ACS Publications
With the rapid development of global industrialization, industrial production leads to the
emission of large quantities of toxic gases and long-term exposure of these gases to the air …

Exploring the mechanisms of catalytic performance enhancement for HER and OER on nickel film by incorporating antimony atoms: DFT study and experimental …

HS Gugtapeh, M Rezaei - Surfaces and Interfaces, 2023 - Elsevier
The proper design of earth-abundant bifunctional electrocatalysts for best-performing water
electrolysis is exceptionally challenging. Herein, we investigated the mechanism of …

Adsorption of SF6 gas and insulating oil decomposition gas by CoO-doped SnSe monolayer in various environments: A study of strong adsorption performance

X Zhang, H Qiao, H Sun, P Wang, LQ Tao - Chemical Physics, 2023 - Elsevier
Taking into account that Sulfur hexafluoride (SF 6) gas leakage can result in environmental
pollution, the insulating oil used in high-voltage equipment can decompose into various …

A Novel Function Fitting Approach Achieves Tunable Adsorption Properties of CuO-Doped SnSe Monolayer for SF6 Leakage Gas

X Zhang, P Wang, H Qiao, H Sun… - IEEE Transactions on …, 2023 - ieeexplore.ieee.org
Sulfur hexafluoride (SF6) is widely employed in electrical power systems due to its superior
insulating properties. However, prolonged use or equipment failure may cause SF6 gas …

Adsorption behavior of CuO doped GeS monolayer on the thermal runaway gas evolution in lithium battery energy storage systems

J Wang, B Lin, P Wang, LQ Tao, Y Zhang… - Journal of Environmental …, 2024 - Elsevier
Considering that the thermal runaway failure of lithium battery energy storage system will
cause serious safety accidents, and lithium battery thermal runaway will precipitate various …

The gas-sensing mechanism of Nb2C monolayer for SF6 decomposition based on the DFT study

D Yang, D He, D Lu, M Yuan, W Zeng, Q Zhou - Physica Scripta, 2024 - iopscience.iop.org
During fault analysis of gas-insulated switchgear (GIS), continuous monitoring of the gases
produced by the decomposition of SF 6 is critical to the safe operation of the equipment …

检测磷酸铁锂电池热失控气体C2 H4 的MoS2 @c-MOF 传感器研究.

张振宇, 雷达, 张屹峰, 白志刚… - Electronic …, 2024 - search.ebscohost.com
磷酸铁锂电池由于其固有的放热特性以及在电解液中使用易燃有机溶剂, 存在着巨大的热失控
风险, 可能引发严重的火灾事故, 因此对磷酸铁锂电池热失控气体的实时监测已成为当前研究的 …

Adsorption and Sensing Performances of H2S, SO2, and SOF2 on Co Modified WS2 Monolayers, DFT Study

D Zhou, L Huang, Z Cheng, J Huang, H Zhang… - … Academic Forum of …, 2025 - Springer
This study investigates the adsorption and detection performance of transition metal Co-
modified WS 2 for typical SF 6 decomposition products (H 2 S, SO 2, and SOF 2). The …