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- W4285182309 abstract "The recent discoveries of many metal superhydrides provide a new route to room-temperature superconductors. However, their stability and structure trends and the large chemical driving force needed to dissociate H2 molecules and form H covalent network cannot be explained by direct metal-hydrogen bonds and volume effect. Here, we demonstrate that the understanding of superhydrides formation needs a perspective beyond traditional chemical bond theory. Using high-throughput calculations, we show that, after removing H atoms, the remaining metal lattices exhibit large electron localization at the interstitial regions, which matches excellently to the H lattice like a template. Furthermore, H lattices consist of 3D aromatic building units that are greatly stabilized by chemical templates of metals close to s-d border. The chemical template theory can naturally explain the stability and structure trends of superhydrides and help to predict new materials such as two-metal superhydrides." @default.
- W4285182309 created "2022-07-14" @default.
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- W4285182309 date "2022-01-01" @default.
- W4285182309 modified "2023-09-26" @default.
- W4285182309 title "Chemical Templates That Assemble the Metal Superhydrides" @default.
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- W4285182309 doi "https://doi.org/10.2139/ssrn.4108215" @default.
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