Fig. 1: Different conductive directions observed through electronic band structure. | npj Computational Materials

Fig. 1: Different conductive directions observed through electronic band structure.

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

Fig. 1

a Calculated band structure of bulk Ni3(HIB)2 and Cu3(HIB)2 and the corresponding first Brillouin zone and high-symmetry K-points, indicating conductive in the in-plane direction. Reproduced with permission from ref. 45 Copyright 2017 American Chemical Society (ACS). b Calculated band structure and density of states (DOS) of LaHHTP and the corresponding first Brillouin zone and high-symmetry K-points, indicating conductive in the direction perpendicular to the 2D sheet. Reproduced with permission from ref. 63 Copyright 2019 Springer Nature.

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