most citedAdsorption and Dissociation of Toxic Gas Molecules on Graphene-like BC3: A Search for Highly Sensitive Molecular Sensors and Catalysts

318 citations · 326 across the 2 of their papers we have counts for

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2 papers

cond-mat.mes-hall2017★ 318 cited

Adsorption and Dissociation of Toxic Gas Molecules on Graphene-like BC3: A Search for Highly Sensitive Molecular Sensors and Catalysts

S. M. Aghaei, M. M. Monshi, I. Torres +1

The adsorption behavior of toxic gas molecules (NO, CO, NO2, and NH3) on graphene-like BC3 are investigated using first-principle density functional theory (DFT). The most stable a…

cond-mat.mes-hall2017★ 8 cited

Efficient and Reversible CO2 Capture by Lithium-functionalized Germanene Monolayer

S. M. Aghaei, M. M. Monshi, I. Torres +1

First-principles density functional theory (DFT) is employed to investigate the interactions of CO2 gas molecules with pristine and lithium-functionalized germanene. It is discover…