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Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes
hydrogen bonding and electric field single-file transport carbon nanotubes
2011/9/15
Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcontinuum transport fol...
First Principles Calculation of Field Emission from Carbon Nanotubes With Nitrogen and Boron Doping
First Principles Calculation Field Emission Carbon Nanotubes Nitrogen Boron Doping
2010/11/24
We investigate the eld emission properties of nitrogenated and boronated carbon nanotubes using time-dependent density functional theory, were the wave function propagation is performed using the Cra...
A Theoretical Study on Silicon and III-V Compound Nanotubes
silicon nanotube first principles calculations
2010/4/12
In this paper we present a theoretical study on single-wall silicon and III-V compound nanotubes. First principles plane wave calculations within density functional theory are used to predict energe...