Enhanced role of Al or Ga-doped graphene on the adsorption and dissociation of N2O under electric field

Abstract

To find an effective strategy for the capture and decomposition of nitrous oxide (N(2)O) is very important in order to protect the ozone layer and control the effects of global warming. Based on first-principles calculations, such a strategy is proposed by the systemic study of N(2)O interaction with pristine and Al (or Ga)-doped graphene, and N(2)O dissociation on the surface of Al (or Ga)-doped graphene in an applied electric field. The calculated adsorption energy value shows the N(2)O molecule more firmly adsorbs on the surface of Al (or Ga)-doped graphene than that of pristine graphene, deriving from a stronger covalent bond between the N(2)O molecule and the Al (or Ga) atom. Furthermore, our study suggests that N(2)O molecules can be easily decomposed to N(2) and O(2) with the appropriate electric field, which reveals that Al-doped graphene may be a new candidate for control of N(2)O.

Synthetic routes contaminate graphene materials with a whole spectrum of unanticipated metallic elements

“…Although we have only examined how these metallic impurities can impact the electrochemical responses of RGOs, it is important to keep in mind that other properties can be affected as well. For metallic elements with higher levels of contamination, potassium doping is known to have profound effects on the electronic properties of graphene (53,54), whereas the presence of aluminum on graphene greatly increases its affinity for gases, such as N 2 O and CO (55,56). Additionally, graphene films have been envisaged to function as water desalination systems because of the potential of tuning pore sizes to allow permeation or rejection of different ions (57).…”

Aluminum and iron doped graphene for adsorption of methylated arsenic pollutants

“…In addition, other DFT studies have shown the ability of Al and Fedoped graphene for adsorption of several classes of pollutants such as p-nitrophenol [21], dioxane [22], acetyl halides [23], formaldehyde [24], transition metals [25], and small gas molecules (such as HCN, CO, SO 2 , N 2 O, etc) [26][27][28][29], among others; the doping of other nanostructures as C 3 N nanosheets has proven also to increase the adsorption strength of analites [30]. Note that the dopants in graphene are capable to decrease the structural work associated with the activation energies [31,32]; in addition, Al and Fe atoms improve the binding of the substrate with lone-pair containing adsorbates because they behave as Lewis acids, and these dopants show a low-cost and benign behavior with the environment [28].…”

Adsorption of acetyl halide molecules on the surface of pristine and Al-doped graphene: Ab initio study

“…As a dopant, Aluminum atom has been used toward doping process of graphene for diverse principles [20][21][22][23][24][25][26][27][28][29]. Characteristically, doping of Al into graphene transforms the electron density allotment in around of the doped atom.…”