A DFT study of superior adsorbate–surface bonding at Pt-WSe2 vertically aligned heterostructures upon NO2, SO2, CO2, and H2 interactions

Abstract This study investigates the potential of platinum (Pt) decorated single-layer WSe2 (Pt-WSe2) monolayers as high-performance gas sensors for NO2, CO2, SO2, and H2 using first-principles calculations. We quantify the impact of Pt placement (basal plane vs. vertical edge) on WSe2’s electronic...

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主要な著者:	Aditya Kushwaha, Neeraj Goel
フォーマット:	Artigo
言語:	Inglês
出版事項:	Nature Portfolio 2024-07-01
シリーズ:	Scientific Reports
主題:	Pt-WSe2 Adsorption 2D Material Gas sensor Sensitivity Density functional theory
オンライン･アクセス:	https://doi.org/10.1038/s41598-024-65213-y
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