Concepedia

A DFT study on adsorption of SF6 decomposition gases (H2S, SO2, SO2F2 and SOF2) on Sc-MoTe2 monolayer

Zhaoyin Shi, Yu Zhang, Wen Zeng, Qu Zhou

Sensors and Actuators A Physical · 2023 · 94 citations · 44 references

DOI

Concepts

References

44

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

, , +12

Hardness conserving semilocal pseudopotentials

B. Delley · Physical review. B, Condensed matter · 2002 · 1.8K citations · Full text

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Physisorption-Based Charge Transfer in Two-Dimensional SnS<sub>2</sub> for Selective and Reversible NO<sub>2</sub> Gas Sensing

Jian Zhen Ou, Wanyin Ge, Benjamin J. Carey et al. · ACS Nano · 2015 · 786 citations

, , +17

Room-temperature SO<sub>2</sub> gas-sensing properties based on a metal-doped MoS<sub>2</sub> nanoflower: an experimental and density functional theory investigation

Dongzhi Zhang, Junfeng Wu, Peng Li et al. · Journal of Materials Chemistry A · 2017 · 418 citations

, , +17