Theoretical chemistry of gold

P Pyykkö - Angewandte Chemie International Edition, 2004 - Wiley Online Library
Theoretical Chemistry of Gold - Pyykkö - 2004 - Angewandte Chemie International Edition - Wiley
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Quantum properties of atomic-sized conductors

N Agraıt, AL Yeyati, JM Van Ruitenbeek - Physics Reports, 2003 - Elsevier
Using remarkably simple experimental techniques it is possible to gently break a metallic
contact and thus form conducting nanowires. During the last stages of the pulling a neck …

Surface-stress-induced phase transformation in metal nanowires

J Diao, K Gall, ML Dunn - Nature materials, 2003 - nature.com
Abstract Several researchers,,,,,,, have demonstrated, through experiments and analysis,
that the structure and properties of nanometre-scale materials can be quite different to those …

Atomistic simulation of the structure and elastic properties of gold nanowires

J Diao, K Gall, ML Dunn - Journal of the Mechanics and Physics of Solids, 2004 - Elsevier
We performed atomistic simulations to study the effect of free surfaces on the structure and
elastic properties of gold nanowires aligned in the〈 1 0 0〉 and〈 1 1 1〉 crystallographic …

Atomistic simulations of the yielding of gold nanowires

J Diao, K Gall, ML Dunn, JA Zimmerman - Acta Materialia, 2006 - Elsevier
We performed atomistic simulations to study the effect of free surfaces on the yielding of gold
nanowires. Tensile surface stresses on the surfaces of the nanowires cause them to contract …

Common origin for surface reconstruction and the formation of chains of metal atoms

RHM Smit, C Untiedt, AI Yanson, JM Van Ruitenbeek - Physical review letters, 2001 - APS
During the fracture of nanocontacts gold spontaneously forms freely suspended chains of
atoms, which is not observed for the isoelectronic noble metals Ag and Cu. Au also differs …

Molecular dynamics simulation of a solid platinum nanowire under uniaxial tensile strain: Temperature and strain-rate effects

SJA Koh, HP Lee, C Lu, QH Cheng - Physical Review B—Condensed Matter …, 2005 - APS
Nanoscale research has been an area of active research over the past fifteen years. This is
due to the overall enhanced properties of nanomaterials due to size effects, surface effects …

Helical gold nanotube synthesized at 150 K

Y Oshima, A Onga, K Takayanagi - Physical review letters, 2003 - APS
Gold nanowires were synthesized at 150 K by electron beam thinning of a gold thin foil in an
UHV electron microscope. The gold nanowires were found to have a helical multishell …

Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials

A Smogunov, A Dal Corso, E Tosatti - Physical Review B—Condensed Matter …, 2004 - APS
The scattering-based approach for calculating the ballistic conductance of open quantum
systems is generalized to deal with magnetic transition metals as described by ultrasoft …

[图书][B] First-principles calculations in real-space formalism: electronic configurations and transport properties of nanostructures

K Hirose, T Ono, Y Fujimoto, S Tsukamoto - 2005 - books.google.com
With cutting-edge materials and minute electronic devices being produced by the latest
nanoscale fabrication technology, it is essential for scientists and engineers to rely on first …