Adsorption and Sensing Properties of Formaldehyde on Chemically Modified Graphene Surfaces

Abstract

Chemically modifying graphene (such as chemical doping) is a commonly used method to improve its formaldehyde sensing properties, but the microscopic mechanisms of heteroatoms in the adsorption and sensing process are still unclear. In this paper, the adsorption and sensing properties of formaldehyde on graphene surfaces modified by X doping (X = B, N, O, P, S, Mg and Al) were systematically investigated by first-principles calculations. The adsorption geometries, adsorption energies, charge transfers, and electronic structures were obtained and analyzed. The adsorption strengths of HCHO molecule on the Mg- and Al-doped graphene surfaces were stronger than those of non-metal (B, N, O, P and S)-doped cases. These results showed that the Mg- or Al-doped graphene was better for HCHO detecting than the non-metal-doped graphene systems. The sensing properties were simulated by theNEGF method for the two-probe nano-sensors constructed from Al- and Mg-doped graphene. The maximum sensing responses of nano-sensors based on Al- and Mg-doped graphene were obtained to be 107% and 60%, respectively. The present study supplies a theoretical basis for designing superior graphene-based HCHO gas sensors.

Facile Mesoporous Hollow Silica Synthesis for Formaldehyde Adsorption

“…Various studies are being carried out using nanomaterial supports to adsorb formaldehyde. Carbon nanomaterials such as carbon nanotubes [ 10 , 11 , 12 ] and graphene [ 13 , 14 , 15 ] have been recently employed in various attempts to adsorb formaldehyde. Zeolite [ 16 , 17 , 18 ], active carbon [ 19 , 20 ], and porous silica nanomaterials [ 21 , 22 , 23 ] are also utilized as support materials for adsorption.…”

Variable Angle Spectroscopic Ellipsometry Characterization of Graphene Oxide in Methanol Films

“…The remarkable electrical, thermal, mechanical, optical, and long electron mean free paths properties of graphene make it compelling for various engineering applications [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18].…”