Reverse Monte Carlo method for amorphous carbon modeling

As a promising modeling method, the reverse Monte Carlo (RMC) method has been widely used in amorphous carbon study. In this paper, the significance of the RMC method in acquiring the detailed information about amorphous carbon structure is illuminated and the mechanism of the RMC method is also briefly introduced. There are two key points when applying the RMC method to modeling amorphous carbon. One is how to ensure accuracy and reality of the model developed by the RMC method, the other is how to model the large scale pore network structure of disordered porous carbon. Based on the two key points, this paper reviews the improvements and the tendency of this method in carbon study. Diverse geometry constraints and energy constraints for different type of carbon are introduced in the RMC method, which can effectively improve the accuracy and reality of the model structure. Modeling of disordered porous carbon with mesopores has the tendency to be the hot point in the future research of structure reconstruction.