First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire
We report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two Au (100) electrodes. We show that the current was increased by increasing of the external voltage biases. The projected density of states (PDOS) and trans...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2014-01-01
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| Series: | International Journal of New Chemistry |
| Subjects: | |
| Online Access: | http://www.ijnc.ir/article_7204_a383a1d9c2c484b4bbbed5052d0415bf.pdf |