Physical Review B · 2010 · 28 citations · 15 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsPhysical ChemistryAb Initio MethodsChemical BondingMolecular BondingMolecular SpectroscopyMolecular StructureSurface PhysicsAtomic CoordinationChainsComputational Vibrational SpectroscopyHydrogen Chemistry
The formation of a Pd atomic chain in a hydrogen atmosphere was investigated by measurements of conductance and vibrational spectroscopy of a single molecular junction and the theoretical calculation. While atomic chains were not formed for clean $3d$ and $4d$ metals, in the case of Pd (a $4d$ metal) atomic chains could be formed in the presence of hydrogen. Stable atomic chains with two different atomic configurations were formed when the Pd atomic contact was stretched in a ${\text{H}}_{2}$ atmosphere: highly conductive short hydrogen-adsorbed atomic chain and low conductive long hydrogen incorporated atomic chain.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Quantum properties of atomic-sized conductors
Physics Reports · 2003 · 1.5K citations · Full text