Structural surface elements of diamond-core nanoparticles

被引：0
|
作者：
Vorontsov, A. V. [1 ]
Novakovskaya, Yu V. [1 ]
机构：
[1] Moscow MV Lomonosov State Univ, Moscow 119991, Russia
来源：
DOKLADY CHEMISTRY | 2016年 / 467卷
关键词：
NANODIAMONDS;
D O I：
10.1134/S0012500816030071
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Ab initio modeling of C (n) clusters comprising up to 250 atoms and having a diamond core revealed stable primary surface elements of nondiamond nature. At large local curvature of the surface, pentaatomic rings dominate. At a smaller local curvature, the fraction of six-membered rings increases, and so does the fraction of structures that resemble open fragments of fullerenes and nuclei of cross-sectional segments of nanotubes.
引用
收藏
页码：69 / 72
页数：4
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