Prediction of new sp2 and sp2/sp3 hollow carbon crystals
Benedek, G. ; Colombo, L. ; Gaito, S. ; Galvani, E. ; Serra, S.
College Park, Md. : American Institute of Physics (AIP)
Published 1997
College Park, Md. : American Institute of Physics (AIP)
Published 1997
| ISSN: |
1089-7690
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|---|---|
| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
Among the hypothetical forms of fully covalent carbon lattices with either graphite-like sp2 or mixed sp2/sp3 bonding we investigated the possibility of monocrystals with a hollow structure. We have calculated the structural, elastic and electronic properties of two prototypical face–centered cubic lattices C20 and C22, respectively, making also a critical comparison to diamond and graphite. The first of these lattices belongs to a new class of sp2–bonded periodic solids which we call hollow graphites. We give a topological classification of such solids along with the algorithm to generate them. Both crystals, having a nanoporous lattice made of periodic sequence of adjacent cavities, rather than the tubular structure of schwarzites, are characterized by a large internal specific area and should be suitable to form reversible high capacity lithium insertion compounds. © 1997 American Institute of Physics.
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| Type of Medium: |
Electronic Resource
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| URL: |