期刊
JOURNAL OF CHEMICAL PHYSICS
卷 130, 期 18, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3134115
关键词
boron alloys; density functional theory; doping profiles; electric moments; elemental semiconductors; fullerenes; nanotechnology; scandium alloys; semiconductor doping; silicon; silicon alloys
资金
- National Natural Science Foundation of China [NSFC-10744006, NSFC-10874007]
- U.S. Department of Energy
Using density functional theory with generalized gradient approximation for exchange and correlation energy, we show that substitution of a Si atom at one of the C sites in C-60 not only allows C59Si to have a hydrophobic head with a hydrophilic tail but also the Si atom acts as a seed for anisotropic growth of the heterofullerene. This is demonstrated by interacting C59Si with N7Sc and B8Si. The resulting complex structures exhibit enhanced electric dipole moments and anisotropy. Thus, doping induced anisotropic growth of nanostructures provides a novel route for the synthesis of bifunctional particles with atomic-level control on selectivity and diversity. These particles may have important applications in biomedical, solar, and display industry.
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