Self-assembly of nanoparticle for novel applications

The surface coating of interfaces is of practical interest to technological important areas such as sensors and coating. Wide range of properties such as mechanical, electrical, optical, wear-resistant and corrosion-resistant can be achieved by coating. Traditionally chemical treatments are performed to modify the surfaces. However, physical treatment such as adsorption of nanoparticles on a surface is very demanding as it provides more control of properties and reusability of materials. The chemical and physical nature of a surface can be modified by layer(s) of adsorbents. However, to control the process of adsorption of nanoparticles on surface, the mechanism of the process should be clear. The aim of this proposal is to understand the mechanism of adsorption of nanoparticles on a polymeric surface, role of charges in the adsorption/desorption mechanism. Further, we are interested in the mechanical, thermal, optical and electrical properties of nanoparticle-polymer system. In this area, we use QM-MD, coarse-grained simulation, DLVO theory and experiments.


  • Patra TK and Singh JK, Polymer directed aggregation and dispersion of anisotropic nanoparticles Soft Matter,10, 1823 (2014)
  • Patra TK and Singh JK, Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: Dispersion vs. Agglomeration J. Chem. Phys. 138, 144901 (2013)
  • Sharma AK, Khare P, Singh JK and Verma N, Preparation of novel carbon microfiber/carbon nanofiber-dispersed polyvinyl alcohol-based nanocomposite material for lithium-ion electrolyte battery separator Mat. Sci. Eng. C 33, 1704(2013)
  • Patra TK, Hens A and Singh JK, Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers J. Chem. Phys. 137, 084701(2012)
  • Ghosh A, Patra TK, Rishikant, Singh RK, Singh JK and Bhattacharya S, Surface Electrophoresis of ds-DNA across orthogonal pair of surfaces, App. Phys. Lett. 98,164102 (2011)