CMSP Seminar (Atomistic Simulation Seminar Series) 26 July, 11:00hrs, J. Meena Devi

[CMSP Seminars Secretariat]

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CMSP Seminar (Atomistic Simulation Seminar Series)
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*Wednesday, 26 July 2023, 11:00 hrs*
*IN PERSON: /Luigi Stasi Seminar Room (Leonardo Building, second floor)/*/
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/Zoom registration link: 
https://zoom.us/meeting/register/tJ0qdOCorT4pHtefnBIFbfTRcA3uBtSMjUSZ//
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Speaker:*Jeyapagasam Meena Devi * (Department of Physics, School of 
Electrical and Electronics Engineering, SASTRA Deemed University, 
Thanjavur, Tamilnadu, India).

Title: *Exploring the effect of shape on the properties of gold 
nanoparticles*

Abstract:

The unique, versatile features of gold nanoparticles such as stability 
at ambient conditions,ease of surface modification, bio-compatibility, 
excellent physicochemicaland biologicalproperties, make them a promising 
candidate in the field of research and bio-nanotechnology. In the 
present work, molecular dynamics simulations have been employed to study 
theeffect of shape (sphere, cube, pyramid, rod) on the structural, 
thermal and hydration properties of gold nanoparticles. The stability of 
the gold nanoparticles has been found to enhancewith the increase in the 
degree of compactness of shape. There is no significant change in the 
specific heat capacity of the gold nanoparticles with respect to shape. 
The wettability of the gold nanoparticles has been found to enhance with 
the decrease in the degree of compactness of shape. Hence the present 
results suggest that, the stability and the wettability of the gold 
nanoparticles may be modified by altering their shape.


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CMSP, Condensed Matter & Statistical Physics Section
http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/

    
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