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Atomic and electronic structures of ideal DFD‐PI and BCD‐PI models

Atomic and electronic structures of ideal DFD‐PI and BCD‐PI models

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Download scientific diagram | Atomic and electronic structures of ideal DFD‐PI and BCD‐PI models. a) Top views (left) and side views (right) of 3D atomic structures with layer‐by‐layer representations with the Bader charges. The red and blue shaded areas for the left images indicate excessive and deficient electron distributions, respectively. The white, gray, blue, red, and magenta spheres indicate hydrogen (H), carbon (C), oxygen (O), and zinc (Zn) atoms, respectively. The red dashed lines represent OZn and NZn bonding. b) Visualizations of electron wave functions at valence band maximum (VBM) at charge and discharge states. White, gray, blue, red, and magenta spheres indicate hydrogen (H), carbon (C), nitrogen (N), oxygen (O), and zinc (Zn) atoms, respectively. from publication: A π‐Bridge Spacer Embedded Electron Donor–Acceptor Polymer for Flexible Electrochromic Zn‐Ion Batteries | Zinc ion batteries (ZIBs) have drawn much attention as the next-generation energy storage for smart and wearable electronics due to their high theoretical gravimetric/volumetric energy capacities (820 mAh/g, 5855 mAh/cm3 ), safety from explosive hazards, and | Embedded Electronics, Battery and Power (Psychology) | ResearchGate, the professional network for scientists.