Density-Functional Calculation of Methane Adsorption on Graphenes PROJECT TITLE :Density-Functional Calculation of Methane Adsorption on GraphenesABSTRACT:The adsorption behaviors of methane adsorbed on different graphenes (pristine, and B-, N-, P-, and Al-doped monolayer and multilayer) are analyzed using density-functional theory. The results demonstrate that the sensing performance of graphene as a methane sensor strongly depends on the selection of dopants and the number of layers. The adsorption energy on monolayer P-doped or Al-doped graphene shows regarding one order of magnitude higher than that with different dopants. Still, graphenes doped with different impurities show totally different responses to the charge transfer. A more analysis indicates that the multilayer structure encompasses a positive impact on the adsorption energy on the pristine, B-doped, and N-doped graphene, whereas the P-doped or Al-doped graphene shows a important decrease with the increase in the amount of layers. Moreover, the multilayer structure features a minor result on the charge transfer. Based mostly on the combined effects on the adsorption energy and therefore the charge transfer, Al-doped monolayer graphene is that the optimal candidate for methane sensing. Did you like this research project? To get this research project Guidelines, Training and Code... Click Here facebook twitter google+ linkedin stumble pinterest Approach for home appliance recognition using vector projection length and Stockwell transform Real-Time Pricing Mechanism for Electricity Market With Built-In Incentive for Participation
