Carbon Allotropes from a Viewpoint of Topology
نویسندگان
چکیده
منابع مشابه
From zeolite nets to sp carbon allotropes: a topology-based multiscale theoretical study†
We present a comprehensive computational study of sp-carbon allotropes based on the topologies proposed for zeolites. From E600000 zeolite nets we identified six new allotropes, lying by at most 0.12 eV per atom above diamond. The analysis of cages in the allotropes has revealed close structural relations to diamond and lonsdaleite phases. Besides the energetic and mechanical stability of new a...
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We present a comprehensive computational study of sp(3)-carbon allotropes based on the topologies proposed for zeolites. From ≈600,000 zeolite nets we identified six new allotropes, lying by at most 0.12 eV per atom above diamond. The analysis of cages in the allotropes has revealed close structural relations to diamond and lonsdaleite phases. Besides the energetic and mechanical stability of n...
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ژورنال
عنوان ژورنال: Hyomen Kagaku
سال: 2009
ISSN: 0388-5321,1881-4743
DOI: 10.1380/jsssj.30.651