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http://dspace.dtu.ac.in:8080/jspui/handle/repository/15261| Title: | FIRST PRINCIPLE CALCULATION OF ZIGZAG GRAPHENE NANORIBBONS WITH TITANIUM AND ZIRCONIUM TERMINATION |
| Authors: | KOHLI, VINAY KUMAR |
| Keywords: | ZIGZAG GRAPHENE NANORIBBONS ZIRCONIUM TERMINATION TITANIUM |
| Issue Date: | Oct-2016 |
| Series/Report no.: | TD NO.2529; |
| Abstract: | We have investigated the stability and electronic properties of zigzag graphene nanoribbons (ZGNR) with Titanium and Zirconium termination using density functional theory. Stability has been analyzed on the basis of binding energy, and electronic properties are analyzed by band structure and density of state. We found that termination of Ti and Zr could be used to enhance metallicity in ZGNR, interesting results was found in case of Zr both edge termination which shows the highest binding energy than all other configurations. |
| URI: | http://dspace.dtu.ac.in:8080/jspui/handle/repository/15261 |
| Appears in Collections: | M.E./M.Tech. Applied Physics |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Vinay kohli M Tech 2k13nse11.pdf | 1.8 MB | Adobe PDF | View/Open |
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