Large-scale simulations of CO<sub>2</sub> diffusion in metal-organic frameworks with open Cu sites

Tongan Yan, Minman Tong, Qingyuan Yang, Dahuan Liu, Yandong Guo, Chongli Zhong

Chinese Journal of Chemical Engineering . 2022, (2): 1 -9 . DOI: 10.1016/j.cjche.2021.08.013