Activated carbon structure (KIP12000+EA)

3D Model

This is the atomic structure of an activated carbon called KIP1200. The atomic structure has been constructed by means of Hybrid Reverse Monte Carlo (HRMC) algotithm and Erhart-Albe force field. More details is availabe in Figure 4b of the paper (https://www.sciencedirect.com/science/article/abs/pii/S0167732221022728?via%3Dihub).

El Oufir, Z.; Ramézani, H.; Mathieu, N.; Delpeux, S. & Bhatia, S. K. Influence of force field used in carbon nanostructure reconstruction on simulated phenol adsorption isotherms in aqueous medium Journal of Molecular Liquids, 2021