Fig. 3: Schematic of the structure and orbitals. | Nature Communications

Fig. 3: Schematic of the structure and orbitals.

From: Impacts of distorted local chemical coordination on electrochemical performance in hydrated vanadium pentoxide

Fig. 3

a Organic cations pre-intercalated hydrated vanadate. The crystal structure keeps the original bi-layered framework and the cations replace partial water and occupy the sites. b The distortion in the [VO6] octahedron. Pre-intercalated cation interacts with the oxygen from [VO6] octahedra and induce the compression along c-axis as verified by XAFS and PDF. c 3 d orbitals splitting of vanadium ion in Ch2-VOH and Ch-VOH. The different interaction and distortion in the [VO6] octahedra induce the different secondary splitting energy, causing different energy levels in orbitals. The lower energy level of 3 dxy orbital offers a higher operating voltage in the redox reaction.

Back to article page