The response of single-walled carbon nanotubes to NO2 and the search for a long-living adsorbed species
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A class of peptides from the bombolitin family, not previously identified for nitroaromatic recognition, allows near-infrared fluorescent single-walled carbon nanotubes to transduce specific changes in their conformation. In response to the binding of spec ...
Iridium adsorption on gamma-Al2O3 (001) surface has been studied using the ab initio calculation method and the electronic structures of the bare and the Ir adsorbed gamma-Al2O3 (001) surfaces have been analyzed. By modeling different adsorption sites, one ...
One of the most challenging strategies to achieve tunable nanophotonic devices is to build robust nanohybrids with variable emission in the visible spectral range, while keeping the merits of pristine single-walled carbon nanotubes (SWNTs). This goal is re ...
Multi-walled carbon nanotubes functionalized by carboxylic groups, exhibit better affinity towards TiO2 (P90, Degussa) as compared to that of pristine nanotubes. Also the electrochemical performance of TiO2 is improved by nanotube networking, but the Li-st ...
In this thesis we study the interplay between electronic correlations and geometry in single-walled carbon nanotubes by microscopic model calculations. Electronic correlations are expected to be strong because of the low dimensionality of carbon nanotubes. ...
A review. The unique structural, electronic, and mech. properties of single-walled carbon nanotubes (SWNTs) have opened the doors to developments that push the limits of science. These advancements not only further scientific discovery, but also result in ...
This thesis reports on the investigations performed on electrochemical functionalization and photoelectronic transport properties of individual single-wall carbon nanotubes (SWCNTs). The first part of the thesis is concerned with the controlled modificatio ...
In the framework of this thesis molecular nanostructures have been engineered on surfaces and are characterized using a variety of techniques. Two types of molecules have been used: carbon nanotubes (CNT) and 4-[trans-2-(pyrid-4-yl-vinyl)] benzoic acid (PV ...
By means of ab initio calculations based on density-functional theory we demonstrate that magnetism in monoatomic Fe wires deposited on nanostructured Ir(100) surface can be tuned by their functionalization with hydrogen. The pristine monoatomic Fe wires d ...
The Quantum-ESPRESSO package is a multipurpose and multi-platform software for ab-initio calculations of condensed matter (periodic and disordered) systems. Codes in the package are based on density functional theory and on a plane wave/pseudopotential des ...