Adsorption characteristics of amino acids on graphene and germanene using dispersion-corrected density functional theory

Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study

“…For graphene, or, to be more precise, pristine graphene (GN), various superior physical and chemical properties, including large surface area, mechanical strength, fascinating thermal and electrical conductivity, have hitherto been deeply understood and well established through significant studies [ 10 , 11 , 12 ]. Consequently, GN has been widely used in various industrial applications, such as sensors, lithium-ion batteries, and catalysis [ 13 , 14 , 15 , 16 ]. The utilization of GN in removing toxic volatile organic compounds (VOCs) such as benzene, pyridine, and thiophene from the air was also reported [ 17 , 18 ].…”

Surface modification of graphene with functionalized carbenes and their applications in the sensing of toxic gases: a DFT study

“…[16][17][18] The high sensitivity of graphene to gas concentration changes enabled it to be embedded in sensory devices. 19 This sensitivity can be attributed to two factors: (i) graphene p orbitals interact with the adsorbates residing on top of the substrate via van der Waals interactions 20 and (ii) the high surface-to-volume ratio of graphene, which is an advantage feature of all 2D materials. 21 Moreover, graphene has low electronic noise, which makes it an ideal material for detecting gas molecules on its surface.…”