Origin of the Strain Energy Minimum in Imogolite Nanotubes
- Title
- Origin of the Strain Energy Minimum in Imogolite Nanotubes
- Author
- 손대원
- Keywords
- SINGLE-WALLED ALUMINOSILICATE; MECHANICAL-PROPERTIES; ELECTRONIC-PROPERTIES; MOLECULAR-DYNAMICS; ELASTIC PROPERTIES; ALUMINUM SILICATE; CARBON NANOTUBES; PSEUDOPOTENTIALS; DIMENSIONS; STABILITY
- Issue Date
- 2011-04
- Publisher
- AMER CHEMICAL SOC
- Citation
- JOURNAL OF PHYSICAL CHEMISTRY C, v. 115, NO 13, Page. 5226-5231
- Abstract
- We have systematically analyzed the structure of imogolite and their energetics, to understand the physics governing control over imogolite nanotube diameter and strain energy. In this work, we have presented evidence that the arrangements of inner and outer hydroxyl (OH) groups, that is hydrogen bond (HB) networks, play an important role in the formation of imogolite nanotubes and their structural stability. The outer HB significantly affects the Al-O distances and generates two different structures. Even though the relaxation of inner and outer Al-O and Si-O bond distances is the driving force for tubular imogolite formation, we show that the origin of the strain energy minimum, that is high monodispersity of diameter in imogolite nanotubes, is the inner HB networks. The preference for zigzag chirality and the formation mechanism of tubular imogolite also can be understood based on HB networks. Therefore, we present that a comprehensive understanding of the origin of high monodispersity of diameter and the preference for zigzag chirality in imogolite nanotubes provide useful insight into the researches of technical applications of imogolite nanotubes.
- URI
- http://pubs.acs.org/toc/jpccck/115/13/?
- ISSN
- 1932-7447
- DOI
- 10.1021/jp108629z
- Appears in Collections:
- COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > CHEMISTRY(화학과) > Articles
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