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12 papers
Quantum transport properties of ultrathin silver nanowires
Jijun Zhao, Buia Calin, Jie Han +1
The quantum transport properties of the ultrathin silver nanowires are investigated. For a perfect crystalline nanowire with four atoms per unit cell, three conduction channels are…
Binding energies and electronic structures of adsorbed titanium chains on carbon nanotubes
Chih-Kai Yang, Jijun Zhao, Jian Ping Lu
We have studied the binding energies and electronic structures of metal (Ti, Al, Au) chains adsorbed on single-wall carbon nanotubes (SWNT) using first principles methods. Our calc…
Quantum Interference Effects in Electronic Transport through Nanotube Contacts
Calin Buia, Alper Buldum, Jian Ping Lu
Quantum interference has dramatic effects on electronic transport through nanotube contacts. In optimal configuration the intertube conductance can approach that of a perfect nanot…
Work functions of pristine and alkali-metal intercalated carbon nanotubes and bundles
Jijun Zhao, Jie Han, Jian Ping Lu
The work functions (WF) of single-walled carbon nanotubes and bundles are studied using first principles methods. For individual metallic tubes, the WF is independent of the chiral…
Gas molecule adsorption in carbon nanotubes and nanotube bundles
Jijun Zhao, Alper Buldum, Jie Han +1
We studied various gas molecules (NO, O, NH, N, CO, CH, HO, H, Ar) on single-walled carbon nanotubes (SWNTs) and bundles using first principles meth…
Pressure-induced metallization in solid boron
Jijun Zhao, Jian Ping Lu
Different phases of solid boron under high pressure are studied by first principles calculations. The -B structure is found to be stable up to 270 GPa. Its semiconductor…