A DFT study of arsine adsorption on palladium doped graphene: Effects of palladium cluster size
Applied Surface Science(2016)
摘要
The relationship between charge difference and adsorption strength demonstrates that charge migration from Pdn-SDG to AsHx significantly enhanced adsorption strength, the Pd6 clusters doped SDG with a steep slope is recommended as a superior adsorbent material for AsH3 removal from gas stream.
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关键词
Arsine removal,Pd cluster,Defective graphene,Adsorbent,Cluster size,Density functional theory
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