Vacancy-vacancy interaction and oxygen diffusion in stabilized cubicZrO2from first principles

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Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principles.The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study.Defect interactions and ionic transport in scandia stabilized zirconia

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Vacancy-vacancy interaction and oxygen diffusion in stabilized cubicZrO2from first principles

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im September 2008 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована у вересні 2008

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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Vacancy-vacancy interaction an ...... cubicZrO2from first principles

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A. Laio

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F. Pietrucci

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M. Bernasconi

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M. Parrinello

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Unified Approach for Molecular Dynamics and Density-Functional Theory

Canonical dynamics: Equilibrium phase-space distributions

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

Self-interaction correction to density-functional approximations for many-electron systems

Escaping free-energy minima.

Modeling doped and defective oxides in catalysis with density functional theory methods: room for improvements.

Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics.

Computer simulation of defects and oxygen transport in yttria-stabilized zirconia

EXAFS Study of Yttria-Stabilized Zirconia

EPRg-tensor of paramagnetic centers in yttria-stabilized zirconia from first-principles calculations

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scholarly article

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10.1103/PHYSREVB.78.094301

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English

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2008-09-10T00:00:00Z

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Vacancy-vacancy interaction and oxygen diffusion in stabilized cubicZrO2from first principles

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P2860

P2860

Vacancy-vacancy interaction and oxygen diffusion in stabilized cubicZrO2from first principles

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P1433

P1476

P2093

P2860

P31

P356

P407

P433

P478

P577

P356

P1433

P1476

P2093

P2860

P31

P356

P407

P433

P478

P577