The Journal of Physical Chemistry C · 2012 · 11 citations · 59 references
Natural SciencesMaterials EngineeringMaterials ScienceCrystal StructureMaterials ChemistryThin FilmsCarbon-based Energy MaterialsFuel Cell MaterialsNanostructured Energy MaterialsX-ray CrystallographyX-ray DiffractionX-ray SpectroscopyCarbon-based ElectrocatalystsElectrocatalystsExtended X-ray Absorption Fine StructureNearest-neighbor CoordinationNickel AlloysNickel ChemistryNickel-based AlloysX-ray Diffraction Analysis
Extended X-ray absorption fine structure (EXAFS) and X-ray diffraction (XRD) are used to study the structure of sputtered binary nickel carbon alloy films (5–44 atom % Ni) for use as potential electrocatalysts in acidic solutions. Three compositional regions are identified: “low” (5 atom % Ni), where the structure consists mainly of isolated Ni atoms or dimers in a carbon matrix; “medium” (11–24 atom % Ni), where the Ni–Ni nearest-neighbor coordination is increased but there is little longer-range order; and “high” (35–44 atom % Ni), where crystalline Ni 3 C is formed. This indicates a threshold concentration of Ni of between 25 and 35 at% before Ni 3 C starts to form.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17