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Structures of Isolated Tellurium Chains Encapsulated Inside Carbon Nanotube

Hiroyuki Ikemoto, Toshihiko Fujimori, Takafumi Miyanaga, Shogo Kato, Fabio Iesari, Koki Urita

2020The Journal of Physical Chemistry C15 citationsDOI

Abstract

The structures of encapsulated Te chains in carbon nanotubes (Te@CNTs) were investigated using X-ray absorption fine structure analysis, including analyses of extended X-ray absorption fine structure and X-ray absorption near edge structure. The chains are encapsulated in CNTs as isolated chains. In the Te@CNT, the covalent bond length is 2.76 Å and the Einstein temperature is 200 K, which are 0.08 Å shorter and 43 K higher than those of trigonal Te (t-Te), respectively. These results imply that the covalent bond of Te@CNT is explicitly stronger than that of t-Te, which is caused by the interchain interaction resulting from the overlap between the lone-pair orbital and the antibonding orbital on the adjacent chain.

Topics & Concepts

Antibonding molecular orbitalCarbon nanotubeCovalent bondTelluriumLone pairAbsorption (acoustics)Materials scienceCrystallographyTrigonal crystal systemChemistryNanotechnologyCrystal structureMoleculeComposite materialAtomic orbitalOrganic chemistryPhysicsElectronMetallurgyQuantum mechanicsFullerene Chemistry and ApplicationsGraphene research and applicationsAdvanced Chemical Physics Studies
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