gold nanoparticle
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Transcript of gold nanoparticle
GOLD NANOPARTICLE- A SIMULATION STUDY
Aravind Veeradevan, Vijayapradeep, Shivasankari, Aswini, Akashprabhu, Yohapriya
2nd year of Five year Integrated M.Tech. (Nanotechnology)Nanotechnology Division
Department of Electronics and Communication EngineeringPeriyar Maniammai University, Vallam-Thanjavur
STATEMENTBuild Gold nanoparticle
Objectives Design gold nanopartilce Characterization of the Molecules – Band structure
MOTIVATIONSize dependent physical property variation
Increase in size: Appearance of color from Violet to Blue
METHODTheoretical Model
Density Functional Theoryi LGAii GGAiii MGGA
Atomistix Toolkit / Virtual Nanolab
Design: Gold Nanoparticle - 1 PARAMETER:
Taken Graphene Zigzag (W=8) replaced by Au
Exchange Correlation: MGGAk point sampling: 100 Analysis: Bandstructure.
INTER ATOMIC DISTANCE 2.03912 AU
PARAMETER:Taken Graphene Zigzag (W=8) replaced by AuExchange Correlation: MGGAk point sampling: 100 Analysis: Bandstructure.
Design: Gold Nanoparticle - 2
INTER ATOMIC DISTANCE 2.32 AU
PARAMETER:Taken Graphene Zigzag (W=8) replaced by AuExchange Correlation: MGGAk point sampling: 100 Analysis: Bandstructure.
Design: Gold Nanoparticle - 3
INTER ATOMIC DISTANCE 1.78 AU
PARAMETER:Taken Graphene Zigzag (W=8) replaced by AuExchange Correlation: MGGAk point sampling: 100 Analysis: Bandstructure.
Design: Gold Nanoparticle - 4
INTER ATOMIC DISTANCE 1.36AU
Decrease in size of Gold NP leads band gap formation
RESULT
Design of gold nano particle with varying sizeCharacterization could reveal the required size for a typical application
CONCLUSIONS
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