Carbon nanotubes and graphene have emerged as promising nanocarbon (nC) materials in various fields. However in order to benefit from their full potential, a functionalization step is usually required. For this reason, different covalent and non-covalent derivatization methods have been developed in the last few years. In this context, we have found a new functionalization method that consists ...

High-temperature oxidation of silicon-carbide nanoparticles (nSiC) underlies a wide range of technologies from high-power electronic switches for efficient electrical grid and thermal protection of space vehicles to self-healing ceramic nanocomposites. Here, multimillion-atom reactive molecular dynamics simulations validated by ab initio quantum molecular dynamics simulations predict unexpected...

Chemical charging of single-walled carbon nanotubes (SWCNTs) and graphenes to generate soluble salts shows great promise as a processing route for electronic applications, but raises fundamental questions. The reduction potentials of highly-charged nanocarbon polyelectrolyte ions were investigated by considering their chemical reactivity towards metal salts/complexes in forming metal nanopartic...

We analyze the definition of the Gibbs free energy of a nanoparticle in a reactive fluid environment, and propose an approach for predicting the size of carbon nanoparticles produced by the detonation of carbon-rich explosives that regards their condensation as a nucleation process and takes into account absolute entropy effects of the cluster population. The results are consistent with experim...

Reported here are experimental results of studies designed to identify the operable mechanisms responsible for the gains in thermal conductivity of nanofluids based on nanocarbons. Comparison of functionalized versus nonfunctionalized nanocarbons addresses the effect of interfacial fluid ordering. Comparison between graphitized and nongraphitized carbon black addresses the effect of long-range ...

Heterometal clusters containing Ru and Au, Co and/or Pt are anchored onto carbon nanotubes and nanofibers functionalized with chelating phosphine groups. The cluster anchoring yield is related to the amount of phosphine groups available on the nanocarbon surface. The ligands of the anchored molecular species are then removed by gentle thermal treatment in order to form nanoparticles. In the cas...

Carbon materials are excellent candidates for photovoltaic solar cells: they are Earth-abundant, possess high optical absorption, and maintain superior thermal and photostability. Here we report on solar cells with active layers made solely of carbon nanomaterials that present the same advantages of conjugated polymer-based solar cells, namely, solution processable, potentially flexible, and ch...

To realize nanocarbons in general and carbon nanotube (CNT) in particular as on-chip interconnect materials, the contact resistance stemming from the metal–CNT interface must be well understood and minimized. Understanding the complex mechanisms at the interface can lead to effective contact resistance reduction. In this study, we compile existing published results and understanding for two met...