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Holes in diamond or carbon nitride lattices
Author(s) -
Balaban Alexandru T.,
Klein Douglas J.,
Seitz William A.
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)60:5<1065::aid-qua13>3.0.co;2-6
Subject(s) - heteroatom , diamond , tetrahedron , chemical physics , octahedron , metallic bonding , metal , nitride , lattice (music) , carbon fibers , crystallography , ion , materials science , diamond cubic , chemistry , condensed matter physics , nanotechnology , crystal structure , composite material , ring (chemistry) , physics , metallurgy , organic chemistry , layer (electronics) , composite number , acoustics
A discussion is presented for possible diamond‐lattice‐based structures containing holes that can be filled with metal atoms or ions. To allow the formation of coordinative bonds to the metal, some carbon atoms should be replaced by heteroatoms (with nitrogen preferred, but in some cases oxygen or other heteroatoms may be considered). Two types of holes that may lead to the formation of coordinative bonds are discussed in detail: tetrahedral holes for four such bonds and quasi‐octahedral holes for six such bonds. In turn, when suitably arranged in a translationally symmetric manner, these holes may resemble open or closed pores in foams; when they are open, the “channels” may lead to interesting properties with regard to metallic conductivity or superconductivity. © 1996 John Wiley & Sons, Inc.