318 citations · 465 across the 6 of their papers we have counts for
4 papers · 1 filter
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…
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…
Robust Ferromagnetism in Silicene Nanoflakes through Patterned Hydrogenation
Sadegh Mehdi Aghaei, Ingrid Torres, Irene Calizo
Considerably different properties emerge in nanomaterials as a result of quantum confinement and edge effects. In this study, the electronic and magnetic properties of quasi zero d…
Highly Sensitive Gas Sensors Based on Silicene Nanoribbons
S. M. Aghaei, M. M. Monshi, I. Calizo
Inspired by the recent successes in the development of two-dimensional based gas sensors capable of single gas molecule detection, we investigate the adsorption of gas molecules su…