Difference between revisions of "Bibek Adhikari"
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== Research == | == Research == | ||
| − | My main research work involves quantum mechanical simulation of carbon nano-structures mainly, Diamondoids. Diamondoids are nanocaged diamond with hydrogen termination. We modify these diamondoids by means of doping and functionalization. We inviestigate the stability of these modified diamondoids and probe the electronic structure of these molecules under the framework of Density Functional Theory (DFT) using SIESTA. We also study the diamondoid based self-assembled monolayers on various metal | + | My main research work involves quantum mechanical simulation of carbon nano-structures mainly, Diamondoids. Diamondoids are nanocaged diamond with hydrogen termination. We modify these diamondoids by means of doping and functionalization. We inviestigate the stability of these modified diamondoids and probe the electronic structure of these molecules under the framework of Density Functional Theory (DFT) using SIESTA. We also study the diamondoid based self-assembled monolayers on various metal stubstrates and investigate the emission properties using time dependent density functional theory (TDDFT). |
== Publications == | == Publications == | ||
Revision as of 17:35, 16 December 2014
PhD student
| Office: | 1.039 |
|---|---|
| Phone: | +49 711 685-67704 |
| Fax: | +49 711 685-63658 |
| Email: | adbibek _at_ icp.uni-stuttgart.de |
| Address: | Bibek Adhikari Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany |
Research
My main research work involves quantum mechanical simulation of carbon nano-structures mainly, Diamondoids. Diamondoids are nanocaged diamond with hydrogen termination. We modify these diamondoids by means of doping and functionalization. We inviestigate the stability of these modified diamondoids and probe the electronic structure of these molecules under the framework of Density Functional Theory (DFT) using SIESTA. We also study the diamondoid based self-assembled monolayers on various metal stubstrates and investigate the emission properties using time dependent density functional theory (TDDFT).
Publications
Towards double-functionalized small diamondoids:selective electronic band-gap tuning, Nanotechnology (2014) (accepted)
Promoting the assembly of carbon onions: an atomisticsapproach, Phys. Status Solidi A 211, No. 2, 277-287 (2014)