相关论文: Rational Doping Strategy of Porous Materials for H…
Transformation of carbon dioxide into carbon nanotubes, CNTs, by electrolysis in molten carbonates provides a low cost route to extract and store this greenhouse gas. CNTs are more stable, compact and valuable than fuels or other CO2…
Sorbent materials, such as graphene-based systems coated with Cr, are being investigated as potential hydrogen storage materials. Graphene, a 2D material with a high surface-to-volume ratio, has been employed. A comparison is conducted…
We perform an extensive combinatorial search for optimal nanostructured hydrogen storage materials among various metal-decorated polymers using first-principles density-functional calculations. We take into account the zero-point vibration…
Semiconducting single-walled carbon nanotubes (SWCNTs) are a promising thermoelectric material with high power factors after chemical p- or n-doping. Understanding the impact of dopant counterions on charge transport and thermoelectric…
Carbon Nanotubes (CNTs) of sufficiently large diameter and a few layers self-collapse into flat ribbons at atmospheric pressure, forming bundles of stacked CNTs that maximize packing and thus CNT interaction. Their improved stress transfer…
Oxide materials offer a wide range of interesting physical and chemical properties. Even more versatile behavior of oxides is seen at the nanoscale, qualifying these materials for a number of applications. In this study we used DFT…
Carbon nanotubes (CNTs) are stiff, all-carbon macromolecules with diameters as small as one nanometer and few microns long. Solutions of CNTs in chlorosulfonic acid (CSA) follow the phase behavior of rigid rod polymers interacting via a…
Carbon Nanotubes have shown to be an attractive option in the race to find a replacement to silicon-based transistors, due to its high electrical conductivity, extraordinary mechanical strength, and thermal conductivity. However, challenges…
Hydrogen storage by physisorption in carbon based materials is hindered by low adsorption energies. In the last decade doping of carbon materials with alkali, earth alkali or other metal atoms was proposed as a means to enhance adsorption…
We present a general approach to the computational design of nanostructured chemical sensors. The scheme is based on identification and calculation of microscopic descriptors (design parameters) which are used as input to a thermodynamic…
Controlled growth, patterning and placement of carbon nanotube (CNT) thin films for electronic applications are demonstrated. The density of CNT films is controlled by optimizing the feed gas composition as well as the concentration of…
Macroscopic fibers of carbon nanotubes (CNT) have emerged as an ideal architecture to exploit the exceptional properties of CNT building blocks in applications ranging from energy storage to reinforcement in structural composites.…
Carbon nanotubes (CNTs) have attracted increasing attention because of their unique structural, mechanical, and electronic properties. Surface chemistry modifications are also useful and critical to manipulate the adsorptive properties of…
Recently unusual properties of water in single-walled carbon nanotubes (CNT) with diameters ranging from 1.05 nm to 1.52 nm were observed. It was found that water in the CNT remains in an ice-like phase even when the temperature ranges…
Careful research on different materials reveals that the material properties are mostly affected by the size of it. Material size down to nanometer scale exhibits some remarkable properties, resulting in unique physical and chemical…
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…
Hydrogen storage remains a key challenge for the development of a sustainable hydrogen energy system, where materials must satisfy requirements on storage capacity, thermodynamics, kinetics, and reversibility. Complex borohydrides are…
Vertically aligned carbon nanotube (CNT) forests are a particularly interesting class of nanomaterials, because they combine multifunctional properties, such as high energy absorption, compressive strength, recoverability and…
The ability to design and dynamically control chiroptical responses in solid-state matter at wafer scale enables new opportunities in various areas. Here we present a full stack of computer-aided designs and experimental implementations of…
The rapid progress on MgB2 superconductor since its discovery[1] has made this material a strong competitor to low and high temperature superconductors (HTS) for applications with a great potential to catch the niche market such as in…