研究论文
A DFT study of toxic gases (NH3, C2H2, NO) adsorption and detection on metal oxides (CuO, Ag2O, In2O3) modified MoTe2 monolayer
Yujie Liu, Ming Ren, Bo Song, Ming Dong
State Key Laboratory of Electrical Insulation and Power Equipment Xi'an Jiaotong University
来源Applied Surface Science
年份2023
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工程Gas Sensing Nanomaterials and Sensors
2D Materials and Applications · Metal-Organic Frameworks: Synthesis and Applications
参考文献 48
Time dependent density functional theory with DMol3
被引 135B. Delley · Journal of Physics Condensed Matter · 2010
From molecules to solids with the DMol3 approach
被引 11,054B. Delley · The Journal of Chemical Physics · 2000
Current-dependent extension of the Perdew–Burke–Ernzerhof exchange-correlation functional
被引 374Sergey N. Maximoff, Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 2004
此处列出前 3 条
引用本文 115
A comparative DFT study on the adsorption properties of lithium batteries thermal runaway gases CO, CO2, CH4 and C2H4 on pristine and Au doped CdS monolayer
被引 135Feiyu Chen, Changxiang Hong, Jiaming Jiang · Surfaces and Interfaces · 2024
Highly Sensitive Gas Sensor for Detection of Air Decomposition Pollutant (CO, NO x ): Popular Metal Oxide (ZnO, TiO 2 )-Doped MoS 2 Surface
被引 79Mingxiang Wang, Qingbin Zeng, Jianjun Cao · ACS Applied Materials & Interfaces · 2024
Boosting oxygen evolution reaction activity and durability of FeOOH-MOF composite at industrial-grade current densities by a facile corrosion strategy
被引 77Yanbing Huang, Zongli Gu, Jiawen Wang · Applied Catalysis B: Environmental · 2025
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