▎ 摘　　要

We have investigated the adsorption potential of N2O(nitrous oxide) over graphene. To do this, we utilized various methodsand techniques to calculate the potential of N2O over thegraphene surface. We performed density functional theory (DFT) calculationsfor different conformations of N2O on the graphene surface,including parallel, N-up, and O-up and random (& SIM;1000) orientations.We used different force field methods (significantly Improved Lennard-Jonespotential) to obtain the best interaction potential that could accuratelydescribe the N2O-graphene adsorption. This involvesevaluating the system's potential energy as a function of distanceand orientation between the N2O molecule and the graphenesurface. By comparing the results of different potential methods,we aimed to identify the most appropriate one that could best describethe adsorption behavior of N2O on graphene. The ultimategoal of the study was to gain insights into the fundamental mechanismsand energetics of N2O adsorption on graphene, which couldbe useful for a wide range of applications in areas such as catalysis,sensing, and energy storage.