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10.1016/j.apsusc.2020.147660

This binding strength is hardly affected by pre-adsorbed H2O molecules and other functional group (OH, F) doped in the sheet, while the presence of oxygen vacancy on Hf2CO2 monolayer greatly promotes the AsH3 adsorption.

Ab initio prediction and characterization of Hf2CO2 monolayer as a promising adsorbent to capture toxic AsH3 gas

10.1016/j.apsusc.2020.147542

In this study, NH3, PH3 and AsH3 adsorptions on intrinsic and alkaline earth metal- (AEM = Be, Mg, Ca, and Sr) doped graphenes are theoretically investigated.

NH3, PH3 and AsH3 adsorption on alkaline earth metal (Be-Sr) doped graphenes: Insights from DFT calculations

10.1007/s00894-019-3991-x

The results showed that Ni-doped graphene was a good candidate for selective AsH3 adsorption.

Density functional theory analysis of selective adsorption of AsH3 on transition metal-doped graphene

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Ash3 Adsorption - This binding strength is hardly affected by pre-adsorbed H2O molecules and other functional group (OH, F) doped in the sheet, while the presence of oxygen vacancy on Hf2CO2 monolayer greatly promotes the AsH3 adsorption. [1] In this study, NH3, PH3 and AsH3 adsorptions on intrinsic and alkaline earth metal- (AEM = Be, Mg, Ca, and Sr) doped graphenes are theoretically investigated. [2] The results showed that Ni-doped graphene was a good candidate for selective AsH3 adsorption. [3]