## 1 Introduction  
Methyl chloride (CH\({}_{3}\)Cl), carbon disulfide (CS\({}_{2}\)), dimethyl sulfide (C\({}_{2}\)H\({}_{6}\)S), and benzene (C\({}_{6}\)H\({}_{6}\)) are typical volatile organic compounds (VOCs), with CH\({}_{3}\)Cl being the most abundant long-lived chlorinated organic compound in the atmosphere, accounting for 17% of the stratospheric chlorine load and having an important impact on stratospheric ozone depletion [1]. Chemical production, industrial combustion, biomass combustion, and solvent use serve as crucial sources of CH\({}_{3}\)Cl [1, 2]. The rapid growth of the chemical industry, using CH\({}_{3}\)Cl as a raw material, has driven the increase in its production and consumption [3]. A range of industrial processes, such as the Klaus process, sticky fiber production, and coal and biomass gasification, release sulfur compounds like CS\({}_{2}\). CS\({}_{2}\) is extremely unstable under ultraviolet irradiation, and it can be oxidized to form SO\({}_{2}\) and other substances, leading to the formation of acid fog and acid rain that pose serious environmental harm [4]. In addition, CS\({}_{2}\) has cytotoxic effects on human systems, especially in the nervous system, cardiovascular system, and reproductive system [5, 6, 7, 8]. In addition to the petroleum and chemical industries, notable sources of C\({}_{2}\)H\({}_{6}\)S emissions include marine activities, biomass combustion processes, landfill sites, and sewage treatment facilities. This gas has an unpleasant odor and can cause symptoms such as nausea and dizziness when inhaled in small quantities. C\({}_{6}\)H\({}_{6}\) primarily originates from petrochemical industries, transportation sources, and indoor air pollution. It not only exhibits high toxicity but also serves as a potential precursor for the formation of PM2.5 and O\({}_{3}\). Therefore, appropriate measures should be implemented to mitigate its emissions and pollution. In recent years, there has been a growing scholarly focus on the study of functional materials, which have a prominent position in the realm of high-tech. With their distinctive properties and extensive advantages, these functional materials exhibit significant potential in terms of catalysis, photocatalysis, sensor design, and adsorption fields [9]. Altering the chemical compositions of material surfaces through acid-base modification [10], doping metal [11], etc., is a approach commonly used to achieve functionalization. This method substantially enhances the adsorption sites and gas molecule adsorption capabilities on the surfaces of functional materials [12]. Activated carbon materials are evolving from conventional carbon-based porous substances to high-performance and highly functional materials that find widespread application in treating industrial VOCs [13]. The mechanism driving interactions between VOCs and porous carbon materials primarily involves physical adsorption [14]. Apart from factors like the adsorption device, the concentration, pressure, humidity, surface structure, and functional group of activated carbon significantly influence its adsorption capacity. During the process of the preparation of activated carbon, non-C elements such as N, O, and H can bond with C to form surface functional groups. Among these functional groups containing nitrogen atoms are mainly pyridine and pyrrole functional groups [15; 16]. Graphene is a monolayer of carbon atoms, bonded in a trigonal sp2 configuration, forming a perfectly flat structure with microscopic ripples [17]. It serves as an ideal model for investigating the adsorption properties of activated carbon. By adjusting its chemical composition and other parameters, one can simulate the adsorption and removal processes of various gas pollutants. Remarkable advancements have been achieved by utilizing graphene as an activated carbon model.