Using molecular dynamics simulations, we have investigated the effect of embedding nanoclusters of radius 3-7 Å on the dynamical and mechanical properties of 1,4-cispolybutadiene melts. To see the effect of polymer-nanocluster interaction strength on the bulk modulus, the van der Waals interactions (vdW) between the polymer chain and nanocluster have been varied from weak to very stong while ke...

Nanocarbon thin films in its many facets are increasingly becoming a material of interest for nanoelectronics and microelectronics applications. Room temperature grown nanocluster carbon (NC) thin films, could be one of the interesting and novel material for micro/nano, large area and flexible microelectronics applications. Nanocluster carbon thin films are unique in terms of its morphology, va...

The complexation of small interfering RNA (siRNA) with positively charged gold nanoclusters has been studied in the present investigation with the help of classical molecular dynamics and steered molecular dynamics simulations accompanied by free energy calculations. The results show that gold nanoclusters form a stable complex with siRNA. The wrapping of siRNA around the gold nanocluster depen...

The unique properties of metallic nanoclusters are attractive for numerous commercial and industrial applications but are generally less stable than nanocrystals. Thus, developing methodologies for stabilizing nanoclusters and retaining their enhanced functionality is of great interest. We report the assembly of PPh3-protected Au9 clusters from a heterogeneous mixture into films consisting of s...

A one-atom controlled platinum sub-nanocluster (under 1 nm) was synthesized using a phenylazomethine dendrimer template. This sub-nanocluster (SNC) catalyst exhibits a remarkable catalytic activity during reductive amination compared to the standard platinum nanoparticles of 2.2 ± 0.8 nm under mild conditions and a low catalyst loading. In addition, this catalyst has a remarkable poison-toleran...

Au nanocluster and PEDOT: PSS blend in the electricalPerformance of Hybrid silicon solar cell. Report Title Poly( 3,4-ethyllenedioxythiophene):poly (styrene sulfonate) (PEDOT:PSS), a P-type organic polymer is frequently employed in the fabrication of heterojuction p-n solar cell devices due to its proper HOMO-LUMO band gap as well as its tunable conductivity. Addition of small volume percentage...

A simple and versatile approach was developed to generate hierarchical assemblies of ultra-small gold nanocluster thin films using the combination of galvanic reaction and a block copolymer coordinated with gold complex. Variation of the temperature allows effective control over the optical response of these stimuli-responsive organic-nanocluster hybrid structures.