CM Seminars @ICTP Leonardo Bldg on Tuesday 11 June at 11am: J. Meena Devi

[CM Section]

Condensed Matter Seminar

Tuesday 11 June at 11:00 a.m.
Luigi Stasi Seminar Room, Leonardo Bldg

J. MEENA DEVI
Centre for Nanotechnology & Advanced Biomaterials CeNTAB
and School of Electrical & Electronics Engineering SEEE, SASTRA
Deemed University, Thanjavur, India

'Structure and Properties of Gold-Fullerence Nanocomposite"

_Abstract:
___

In this talk, structural features, thermal and hydration properties of the

gold-fullerene nanocomposite investigated using molecular dynamics

simulation technique will be presented. The gold-fullerene systems

constituting alkane thiol capped gold nanoparticle and pristine fullerene

in explicit waterhave been simulated and studied. The van der Waals

interactions between the thiol capped gold nanoparticle and fullerene

have facilitatedthe formation of gold-fullerene nanocomposite. Theactive

terminal methyl (hydrophobic) and hydroxy (hydrophilic)groups have

influenced the time of formation of self-assembly, stability,conformation

and dynamics of the thiol chains, and specific heat capacity of the gold-

fullerene nanocomposite. The variation observedin the structure,

specific heat capacity andwetting behaviour of gold-fullerene nanocomposite

with respect to the terminalfunctional groups suggests the possiblity

of tuning the functions of gold-fullerene nanocomposite by changing the

terminal functional groups.