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

页码：69 / 72

页数：4

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