Combined Density Functional Theory Calculation and Non-Equilibrium Green's Function Approach to Predict the Sensitivity of Nitrogen-Containing Gases Over Pttens2-N Monolayers (N =0 - 2)

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作者
Yeh, Chen-Hao [1 ]
Hsieh, Dah-Wei [1 ]
机构
[1] Department of Materials Science and Engineering, Feng Chia University, No. 100, Wenhwa Rd., Seatwen, Taichung,40724, Taiwan
来源
SSRN | 2022年
关键词
Compilation and indexing terms; Copyright 2024 Elsevier Inc;
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学科分类号
摘要
Chemical sensors - Density functional theory - Gas detectors - Molecules - Monolayers - Nitrogen oxides - Platinum compounds - Tellurium compounds - Transition metals
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