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Heat transfer between a silver nanoparticle and surrounding water has been studied using molecular dynamics (MD) simulations. The thermal conductance (Kapitza conductance) at the interface between a nanoparticle and surrounding water has…
Carbon nanotubes are a good realization of one-dimensional crystals where basic science and potential nanodevice applications merge. Defects are known to modify the electrical resistance of carbon nanotubes. They can be present in as-grown…
The recent report of signs of room-temperature superconductivity in ultrathin single-walled carbon nanotubes (CNT) of types (2,1) and (3,0) holds significant promise for energy applications due to their ability to conduct current without…
We simulated the behavior of suspended carbon-nanotube (CNT) resonators over a broad range of temperatures to address the unexplained spectral broadening and frequency shifts seen in experiments. We find that thermal fluctuations induce…
We compared the diffusion of water confined in armchair and zigzag carbon nanotubes for rigid and flexible water models. Using one rigid model, TIP4P/2005, and two flexible models, SPC/Fw and SPC/FH, we found that the number of the number…
Fibres of ultralong and aligned carbon nanotubes (CNT) have axial properties above reference engineering materials, proving to be exceptional materials for application in structural composites, energy storage and other devices. For CNT…
The electronic properties of multi-wall carbon nanotubes (MWNTs) have attracted much attention because they could lead to nano-sized electronic devices. Using chemical vapor deposition (CVD), MWNTs are produced in large quantities at a low…
We use space-charge (SC) theory (also called the capillary pore model) to describe the ionic conductance, $G$, of charged carbon nanotubes (CNTs). Based on the reversible adsorption of hydroxyl ions to CNT pore walls, we use a Langmuir…
Hydrated excess protons under hydrophobic confinement are a critical component of charge transport behavior and reactivity in nanoporous materials and biomolecular systems. Herein excess proton confinement effects are computationally…
Carbon nanotubes (CNTs) are quasi-1D nanostructures that display both high thermal conductivity and intriguing low-dimensional phonon transport phenomena. In comparison to the advances made in the theoretical calculation of the lattice…
The liquid-vapor critical behavior of water is strongly influenced by both ionic solutes and confinement. Molecular dynamics simulations of aqueous NaCl solutions using the TIP4P/2005 water model and the Madrid-2019 ion parameters reveal a…
In the last decades a large effort has been devoted to the study of water confined in hydrophobic geometries at the nanoscale (tubes, slit pores), because of the multiple technological applications of such systems, ranging from drugs…
Molecular dynamics simulations are used to study the occupancy and flow of water through nanotubes comprised of hydrophobic and hydrophilic atoms, which are arranged on a honeycomb lattice to mimic functionalized carbon nanotubes (CNTs). We…
Water can exist in a metastable liquid state under tension for long times before the system relaxes into the vapor via cavitation, i.e., bubble nucleation. Microscopic information on the cavitation process can be extracted from experimental…
In this study, the synthesis of multi-walled carbon nanotubes (MWCNTs) was carried out by chemical vapor deposition (CVD) using propane as the carbon source and Si as the catalyst support. The effect of CVD process variables such as…
We report that the conductance of macroscopic multiwall nanotube (MWNT) bundles under pressure shows power laws in temperature and voltage, as corresponding to a network of bulk-bulk connected Tomonaga-Luttinger Liquids (LL). Contrary to…
We observe photothermal self-oscillations in individual, suspended, quasi-metallic carbon nanotube (CNT) pn devices irradiated with focused CW 633nm light. Here, the bottom of the trench forms an optical cavity with an anti-node at…
Carbon nanotubes can serve as one-dimensional nanoreactors for the in-tube synthesis of various nanostructures. Experimental observations have shown that chains, inner tubes, or nanoribbons can grow by the thermal decomposition of…
The heat capacity of bundles of closed-cap single-walled carbon nanotubes (SWNT) with one-dimensional chains of nitrogen molecules adsorbed in the grooves has been first experimentally studied at temperatures from 2K to 40K using an…
There has been an increasing interest in atom probe tomography (APT) to characterise hydrated and biological materials. A major benefit of APT compared to microscopy techniques more commonly used in biology is its combination of outstanding…