Conduction in Carbon Nanotube Networks: Large-Scale Theoretical Simulations
This thesis exploits the ability of the linear-scaling quantum mechanical code ONETEP to analyze systems containing many thousands of atoms. By implementing an electron transport capability to the code, it also investigates a range of phenomena associated with electrical conduction by nanotubes and,...
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| Định dạng: | Sách |
| Ngôn ngữ: | English |
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Springer
2016
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| Truy cập trực tuyến: | https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/59830 |
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oai:scholar.dlu.edu.vn:DLU123456789-598302023-11-11T06:53:23Z Conduction in Carbon Nanotube Networks: Large-Scale Theoretical Simulations Bell, Robert Density functionals Electron transport Electric properties Carbon nanotubes This thesis exploits the ability of the linear-scaling quantum mechanical code ONETEP to analyze systems containing many thousands of atoms. By implementing an electron transport capability to the code, it also investigates a range of phenomena associated with electrical conduction by nanotubes and, in particular, the process of transport electrons between tubes. Extensive work has been done on the conductivity of single carbon nanotubes. However, any realistic wire made of nanotubes will consist of a large number of tubes of finite length. The conductance of the resulting wire is expected to be limited by the process of transferring electrons from one tube to another.These quantum mechanical calculations on very large systems have revealed a number of incorrect claims made previously in the literature. Conduction processes that have never before been studied at this level of theory are also investigated. 2016-03-15T07:21:16Z 2016-03-15T07:21:16Z 2015 Book 978-3-319-19965-8 978-3-319-19964-1 https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/59830 en application/pdf Springer |
| institution |
Thư viện Trường Đại học Đà Lạt |
| collection |
Thư viện số |
| language |
English |
| topic |
Density functionals Electron transport Electric properties Carbon nanotubes |
| spellingShingle |
Density functionals Electron transport Electric properties Carbon nanotubes Bell, Robert Conduction in Carbon Nanotube Networks: Large-Scale Theoretical Simulations |
| description |
This thesis exploits the ability of the linear-scaling quantum mechanical code ONETEP to analyze systems containing many thousands of atoms. By implementing an electron transport capability to the code, it also investigates a range of phenomena associated with electrical conduction by nanotubes and, in particular, the process of transport electrons between tubes.
Extensive work has been done on the conductivity of single carbon nanotubes. However, any realistic wire made of nanotubes will consist of a large number of tubes of finite length. The conductance of the resulting wire is expected to be limited by the process of transferring electrons from one tube to another.These quantum mechanical calculations on very large systems have revealed a number of incorrect claims made previously in the literature. Conduction processes that have never before been studied at this level of theory are also investigated. |
| format |
Book |
| author |
Bell, Robert |
| author_facet |
Bell, Robert |
| author_sort |
Bell, Robert |
| title |
Conduction in Carbon Nanotube Networks:
Large-Scale Theoretical Simulations |
| title_short |
Conduction in Carbon Nanotube Networks:
Large-Scale Theoretical Simulations |
| title_full |
Conduction in Carbon Nanotube Networks:
Large-Scale Theoretical Simulations |
| title_fullStr |
Conduction in Carbon Nanotube Networks:
Large-Scale Theoretical Simulations |
| title_full_unstemmed |
Conduction in Carbon Nanotube Networks:
Large-Scale Theoretical Simulations |
| title_sort |
conduction in carbon nanotube networks:
large-scale theoretical simulations |
| publisher |
Springer |
| publishDate |
2016 |
| url |
https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/59830 |
| _version_ |
1819790514304581632 |