1. Theoretical study of electron transport properties of SimCn /Cn clusters tethered on graphene nanoribbon.
- Author
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Xia, Yujie, Li, Jie, Dai, Xinyue, Zhang, Lishu, Zhang, Xingfan, Li, Yifan, Jiang, Yanyan, and Li, Hui
- Subjects
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GRAPHENE , *NANORIBBONS , *ELECTRON transport , *SILICON , *CARBON - Abstract
Abstract Electron transport properties of optimized typical Si m C n /C n clusters, including Si 4 C, Si 8 C 5 , Si 9 C 6 , C 6 , C 12 and C 13 , connected to zigzag graphene nanoribbon (ZGNR) electrodes are theoretically studied through first-principles density functional theory (DFT). As for Si 4 C, Si 8 C 5 , Si 9 C 6 clusters, the transmission values at the fermi level show a decreasing tendency with the increase in the number of carbon and silicon atoms. Interestingly, Si 9 C 6 cluster with ring structure (C 6) has poor electron transport properties in spite of C 6 showing good electron transport properties. Although C 12 cluster shows smaller transmission values at the fermi level, when adding an atom to it, - C 13 shows excellent electron transport properties. The electrode coupling of ZGNR-C 12 is the strongest compared with ZGNR-C 6 and ZGNR-C 13 because it forms sp3 orbital which has stronger bond. Our findings may pave a new path for the exploration of nano electronics. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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