CO/CO2 adsorption and sensing on borophene

Abstract

In this paper, the absorption of CO and CO 2 molecules on the two-dimensional structure of borophene has been investigated. Theoretical calculations based on density functional theory shows that the absorption energy of CO and CO 2 molecules on borophene are much higher than that of graphene. Also, by lithium decorated borophene, the absorption energy is increased. So, it can be used as a toxic sensor of CO and CO 2 gases. The monolayer borophene and borophene decorated with lithium is still conductive after absorption of CO and CO 2 molecules. Furthermore, the I-V characteristics based on the non-equilibrium Green's function calculations shows that currently, the limited effect occurs beyond 1.4 V and 2 V for the absorption of CO and CO 2 molecules, respectively. Based on our findings, pure borophene can be used as the detector of CO and CO 2 gas molecules, and decorated borophene with lithium can be used as an absorbent of these toxic gases from the environment.

β12 Phase Borophene Enhanced PANI Gas Sensor for CO and NH3 Detection

“…When C and O atoms are adsorbed by borophene nanosheets, a charge transfer mechanism between CO and borophene occurs, C and O atoms gain electrons and therefore borophene nanosheets lose electrons. Therefore, CO gas is a charge acceptor when faced with borophene [58][59][60]. In this regard, adsorption of CO molecules on borophene has increased the electrical resistance of borophene.…”

“…Wu et al [55] investigated the effect of graphene dispersion on NH 3 gas sensing characteristics of polyaniline gas sensor. The sensor Although there have been inspired theoritical studies about the adsorption of CO molecules to the borophene surface [58][59][60] in the last two years, there are no experiment reports. Also, there have been only a few reports on the detection of NH 3 gas using borophene based sensors over the last four years [61][62][63][64][65][66].…”

Borophene as an emerging 2D flatland for biomedical applications: current challenges and future prospects

“…These gases are very hazardous for human health and to resolve these concerns, nanodevices based upon the sensing of these gases are of great importance in the clinical analysis. 163 In another study, sensing of highly toxic gases including phosgene (COCl 2 ) and CO has been demonstrated with the help of highly anisotropic borophene. Results showed that the adsorption of COCl 2 is more favorable than that of CO and established the role of borophene in potential biosensing.…”

Enhancement of greenhouse gas adsorption on the new α‐type reconstructed structure of two‐dimensional borophene via biaxial strain engineering

“…In its different forms, boron, a naturally occurring element of earth, has been shown to have promising CO and CO 2 adsorption capability [17][18][19]. Studies have also proven the adsorption capabilities of borophene [20][21][22] and deem it a promising agent for energy, sensor, and biomedical applications based on its properties [23,24].…”