Atomic-Scale Modelling of Wear of Carbon Thin Film Containing Nitrogen Using Tersoff-Type Interatomic Potentials.

Role of Interatomic Potentials in Simulation of Thermal Transport in Carbon Nanotubes

Interatomic potentials, which describe interactions between elements of nanosystems, are crucial in theoretical study of their physical properties. We focus on two well known empirical potentials, i.e. Tersoff's and Brenner's potentials, and compare their performance in calculation of thermal transport in carbon nanotubes. In this way, we study the temperature and diameter dependence of thermal...

Large-scale atomistic materials simulation using quantum-accurate interatomic potentials

Molecular dynamics (MD) is a powerful condensed matter simulation tool for bridging between macroscopic continuum models and quantum models (QM) treating a few hundred atoms, but it is limited by the accuracy of the interatomic potential. Sound physical and chemical understandings of these interactions have resulted in a variety of concise potentials for certain systems, but it is diffi cult to...

Structure and Electroanalytical Application of Nitrogen-doped Carbon Thin Film Electrode with Lower Nitrogen Concentration.

We studied a nitrogen-doped nanocarbon film electrode with a nitrogen concentration of lower than 10.9 at% formed by the unbalanced magnetron (UBM) sputtering method. The sp(3) content in the nitrogen-doped UBM sputtering nanocarbon film (N-UBM film) slightly increases with increasing nitrogen concentration. The nitrogen-containing graphite-like bonding decreases and pyridine-like bonding incre...

Direct Measurement of Plowing Friction and Wear of a Polymer Thin Film Using the Atomic Force Microscope

Large-scale complementary macroelectronics using hybrid integration of carbon nanotubes and IGZO thin-film transistors.

Carbon nanotubes and metal oxide semiconductors have emerged as important materials for p-type and n-type thin-film transistors, respectively; however, realizing sophisticated macroelectronics operating in complementary mode has been challenging due to the difficulty in making n-type carbon nanotube transistors and p-type metal oxide transistors. Here we report a hybrid integration of p-type ca...