Toxic Gases on β12 Borophene: the Selective Adsorption
نویسندگان
چکیده
منابع مشابه
Li-Decorated β12-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study
The hydrogen storage properties of pristine β12-borophene and Li-decorated β12-borophene are systemically investigated by means of first-principles calculations based on density functional theory. The adsorption sites, adsorption energies, electronic structures, and hydrogen storage performance of pristine β12-borophene/H₂ and Li-β12-borophene/H₂ systems are discussed in detail. The results sho...
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ژورنال
عنوان ژورنال: VNU Journal of Science: Mathematics - Physics
سال: 2020
ISSN: 2588-1124,2615-9341
DOI: 10.25073/2588-1124/vnumap.4463