Low-density superhard materials: Computational study of Li-inserted B-substituted closo-carboranes LiBC<inf>11</inf> and Li<inf>2</inf>B<inf>2</inf>C<inf>10</inf>

Feng, X; Zhang, X; Liu, H; Qu, X; Redfern, SAT; Tse, JS; Li, Q

Low-density superhard materials: Computational study of Li-inserted B-substituted closo-carboranes LiBC11 and Li2B2C10

Accepted version

Peer-reviewed

Repository URI

https://www.repository.cam.ac.uk/handle/1810/257392

Repository DOI

https://doi.org/10.17863/CAM.650

Files

Accepted version (1014.69 KB)

Type

Article

Authors

Feng, Xiaolei

https://orcid.org/0000-0003-4410-4576

Zhang, X

Liu, H

Qu, X

Redfern, SAT

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Abstract

Insertion of Li atoms into a B-substituted carbon cage produces two superhard compounds with relatively low density: LiBC₁₁ and Li₂B₂C₁₀.

Keywords

3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences

Journal Title

RSC Advances

Journal ISSN

2046-2069
2046-2069

Volume Title

6

Publisher

Royal Society of Chemistry (RSC)

Publisher DOI

https://doi.org/10.1039/c6ra10177a

Rights

http://www.rioxx.net/licenses/all-rights-reserved

Sponsorship

X. F. and Q. L. acknowledge the funding supports from the National Natural Science Foundation of China under Grant No. 11474125, 11274136 and 11534003. J. T. and H. L. acknowledge the National Science Foundation of China (11474126) and support from the University of Saskatchewan research computing group and the use of the HPC resources (Plato machine).

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Scholarly Works - Earth Sciences
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