Chemical templates that assemble the metal superhydrides
Autor: | Yuanhui Sun, Maosheng Miao |
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Rok vydání: | 2023 |
Předmět: |
Superconductivity
History Condensed Matter - Materials Science Materials science Polymers and Plastics General Chemical Engineering Biochemistry (medical) Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences General Chemistry Biochemistry Electron localization function Industrial and Manufacturing Engineering Metal Template Chemical bond Chemical physics Lattice (order) visual_art Network covalent bonding visual_art.visual_art_medium Materials Chemistry Molecule Environmental Chemistry Business and International Management |
Zdroj: | Chem. 9:443-459 |
ISSN: | 2451-9294 |
Popis: | 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. |
Databáze: | OpenAIRE |
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