Effects of external electric field on the sensing property of volatile organic compounds over Janus MoSSe monolayer: a first-principles investigation

Abstract

Janus 2D transition metal dichalcogenide (TMD) is a new generation 2D material with a unique asymmetric structure.

Enhanced sensing performance of armchair stanene nanoribbons for lung cancer early detection using an electric field

“…The effect of an electric field on the sensing performance is explored and the results imply that an electric field enhances the sensing behaviors. 29 Furthermore, the vertical electric field breaks the inversion symmetry of the 2D materials and leads to the Rashba effect, which affects the electrical characterization. When a transverse electric field is applied to nanoribbons, the charge carriers are redistributed by moving toward the two edges of the nanoribbons leading to a change in the band gap.…”

Molybdenum Carbide MXenes as Efficient Nanosensors toward Selected Chemical Warfare Agents

“…The magnitude of the electric field can be chosen according to the calculated ϕ of Mo 2 CT x and their distances with the artificial dipoles. Yeh et al expressed it as exp false( prefix− ϕ z false) , where z is the vertical distance from Mo 2 CT x . Also, the distance between the surface of Mo 2 CT x and the artificial dipole should not exceed ϕ/ E f .…”

“…The magnitude of the electric field can be chosen according to the calculated ϕ of Mo 2 CT x and their distances with the artificial dipoles. Yeh et al 44 expressed it as z exp(…”

“…It is possible to modify the rate and selectivity of a catalytic reaction by using an external electric field, as long as the orientation of the electric field is aligned in favor of electron flow . A wide range of 2D materials showed outstanding sensing aptitudes under an external electric field. , …”

“…42 A wide range of 2D materials showed outstanding sensing aptitudes under an external electric field. 43,44 In this study, by using first-principles simulations, we investigated the sensing propensity of Mo 2 CT x (T x : −O, −S, and −F) toward highly toxic CWAs such as arsine (AsH 3 ), mustard gas (C 4 H 8 Cl 2 S), cyanogen chloride (NCCl), and phosgene (COCl 2 ) both in aqueous and non-aqueous media. We further explored the roles of surface functional groups on the sensing mechanism of Mo 2 CT x .…”