Difference between revisions of "Bibek Adhikari"

From ICPWiki
Jump to: navigation, search
 
(38 intermediate revisions by 2 users not shown)
Line 6: Line 6:
 
|status=PhD student
 
|status=PhD student
 
|room=1.039
 
|room=1.039
|phone=67704
+
|phone=63613
|category=fyta
+
|category=former
 +
|category1=fyta
 
|topical=atomistics
 
|topical=atomistics
 
|topical2=nanopore
 
|topical2=nanopore
 
}}
 
}}
 +
 +
== Research ==
 +
My research work involves the quantum mechanical study of Diamondoids. Diamondoids are nanocaged diamond with hydrogen termination. We modify these diamondoids by means of doping and functionalization. We investigate the stability of these modified diamondoids and probe their electronic structure  under the framework of  Density Functional Theory (DFT) using SIESTA. We also study the carbene based self-assembled monolayers (SAMs) of diamondoids on various metal substrates and investigate their mechanical and electronic properties using VASP. The bonding characteristics  and the adsorption properties of these SAMs  are investigated as well as the morphology of the modified surfaces. Furthermore, in view of their nanotechnological applications we probe  the emission properties of these modified diamondoids using GAMESS and ORCA.
 +
 +
== Publications ==
 +
 +
:*B. Adhikari, G. Sivaraman, M. Fyta.
 +
::''''[http://iopscience.iop.org/article/10.1088/0957-4484/27/48/485207/meta Diamondoid-based molecular junctions: a computational study]''''
 +
:: Nanotechnology 27, 485207 (2016)
 +
 +
:*A. Natterer, B. Adhikari, M. Fyta.
 +
::''''[http://www.sciencedirect.com/science/article/pii/S0022328X1630167X Complexes of carbene-functionalized diamondoids and metal atoms: electronic properties]''''
 +
:: J. Organomet. Chem., pp. 8-15 (2016)
 +
 +
:*B. Adhikari, S. Meng, M. Fyta.
 +
::'''' [http://pubs.rsc.org/en/content/articlelanding/2014/NR/C5NR08709K#!divAbstract Carbene-mediated self-assembly of diamondoids on metal surfaces]''''
 +
:: Nanoscale, 2016, 8, 8966 - 8975
 +
 +
:*B. Adhikari, M. Fyta.
 +
::'''' [http://www.icp.uni-stuttgart.de/~mfyta/docs/nanotech_15.pdf Towards double-functionalized small diamondoids: selective electronic band-gap tuning]''''
 +
:: Nanotechnology 26, 035701 (2015)
 +
 +
:*B. Adhikari, B. Muthuraman, C. Mathioudakis, M. Fyta.
 +
::'''' [http://www.icp.uni-stuttgart.de/~mfyta/docs/pssa_13.pdf Promoting the assembly of carbon onions: an atomistic approach]''''
 +
:: Phys. Status Solidi A 211, No. 2, 277-287 (2014)

Latest revision as of 08:53, 2 May 2017

As Bibek Adhikari is not a member of our working group anymore, the information on this page might be outdated.
Bibek adhikari.jpg
Bibek Adhikari
PhD student
Office:1.039
Phone:+49 711 685-63613
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 research work involves the quantum mechanical study of Diamondoids. Diamondoids are nanocaged diamond with hydrogen termination. We modify these diamondoids by means of doping and functionalization. We investigate the stability of these modified diamondoids and probe their electronic structure under the framework of Density Functional Theory (DFT) using SIESTA. We also study the carbene based self-assembled monolayers (SAMs) of diamondoids on various metal substrates and investigate their mechanical and electronic properties using VASP. The bonding characteristics and the adsorption properties of these SAMs are investigated as well as the morphology of the modified surfaces. Furthermore, in view of their nanotechnological applications we probe the emission properties of these modified diamondoids using GAMESS and ORCA.

Publications

  • B. Adhikari, G. Sivaraman, M. Fyta.
'Diamondoid-based molecular junctions: a computational study'
Nanotechnology 27, 485207 (2016)
  • A. Natterer, B. Adhikari, M. Fyta.
'Complexes of carbene-functionalized diamondoids and metal atoms: electronic properties'
J. Organomet. Chem., pp. 8-15 (2016)
  • B. Adhikari, S. Meng, M. Fyta.
' Carbene-mediated self-assembly of diamondoids on metal surfaces'
Nanoscale, 2016, 8, 8966 - 8975
  • B. Adhikari, M. Fyta.
' Towards double-functionalized small diamondoids: selective electronic band-gap tuning'
Nanotechnology 26, 035701 (2015)
  • B. Adhikari, B. Muthuraman, C. Mathioudakis, M. Fyta.
' Promoting the assembly of carbon onions: an atomistic approach'
Phys. Status Solidi A 211, No. 2, 277-287 (2014)