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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...
Novel time-saving first-principles calculation method for electron-transport properties
first-principles calculation method electron-transport properties
2010/10/27
We present a time-saving simulator within the framework of the density functional theory to
calculate the transport properties of electrons through nanostructures suspended between semiinfinite elect...