Fig. 3: Charge storage mechanisms of three MOFs in various electrolytes. | npj Computational Materials

Fig. 3: Charge storage mechanisms of three MOFs in various electrolytes.

From: Identifying MOFs for electrochemical energy storage via density functional theory and machine learning

Fig. 3

a Spatial distribution of LUMOs in the Ni2[CuPcS8], Ni2[CuPcN8], and Ni2[CuPcO8]. Reproduced with permission from ref. 113 Copyright 2023 ACS. b MESP distribution of Ni2[CuPc(NH)8] Reproduced with permission from ref. 112 Copyright 2021 ACS. c Electronic states of the repeating unit of Ni2[CuPc(NH)8] during the charge/discharge process. Reproduced with permission from ref. 112 Copyright 2021 ACS.

Back to article page