A Lanthanum‐Filled Carbon–Boron Clathrate
| Autor: | Li Zhu, Gustav M. Borstad, Timothy A. Strobel, Michael Guerette, Piotr A. Guńka |
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| Rok vydání: | 2020 |
| Předmět: |
Materials science
010405 organic chemistry Clathrate hydrate chemistry.chemical_element General Chemistry 010402 general chemistry 01 natural sciences Catalysis 0104 chemical sciences Crystallography chemistry.chemical_compound chemistry Octahedron Lanthanum Sodalite Direct and indirect band gaps Isostructural Boron Carbon |
| Zdroj: | Angewandte Chemie International Edition. 60:2877-2881 |
| ISSN: | 1521-3773 1433-7851 |
| DOI: | 10.1002/anie.202012821 |
| Popis: | We report a carbon-boron clathrate with composition 2 La@B6 C6 (LaB3 C3 ). Like recently reported SrB3 C3 ,[1] single-crystal X-ray diffraction and computational modelling indicate that the isostructural La member crystallizes in the cubic bipartite sodalite structure (Type-VII clathrate) with La atoms encapsulated within truncated octahedral cages composed of alternating carbon and boron atoms. The covalent nature of the B-C bonding results in a hard, incompressible framework, and owing to the balanced electron count, La3+ [B3 C3 ]3- exhibits markedly improved pressure stability and is a semiconductor with an indirect band gap predicted near 1.3 eV. A variety of different guest atoms may potentially be substituted within Type-VII clathrate cages, presenting opportunities for a large family of boron-stabilized, carbon-based clathrates with ranging physical properties. |
| Databáze: | OpenAIRE |
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