Muon diffusion and trapping in proton conducting oxides

Hempelmann, Rolf; Soetratmo, M.; Hartmann, O.; Wäppling, R.

doi:10.1016/s0167-2738(97)00543-2

Cited by 122 publications

(79 citation statements)

References 13 publications

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“…This hydrogen position is close to the position proposed by Hempelmann et al 11) The two hydrogen sites differ from each other because of the tilting and distortion of ZrO 6 octahedra in the orthorhombic phase. The local lattice distortion induced by the introduction of hydrogen is illustrated in Fig.…”

Section: Hydrogen Site In Orthorhombic Srzrosupporting

confidence: 88%

“…[2][3][4] Extensive experimental researches have been performed in order to elucidate the transport mechanism of proton in the perovskite-type oxides. [5][6][7][8][9][10][11] It is believed that the proton exists preferably in the neighborhood of oxygen ions and the O-H bond is formed in the oxide. However, the number of experimental reports on the precious proton position is very limited.…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, Hempelmann et al 11) have reported the results of muon spin relaxation measurements in Sc-doped SrZrO 3 , and shown that proton exists in the plane perpendicular to the Zr (or Sc)-O-Zr (or Sc) connecting line between the two neighboring ZrO 6 octahedra. This proton position is apparently different from the model proposed by Sata et al Thus, it is still difficult to determine the precise position of proton in the oxides from experiments, although the position is a fundamental knowledge to understand the proton transfer mechanism.…”

Section: Introductionmentioning

confidence: 99%

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Energetics of Hydrogen States in SrZrO3

et al. 2002

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The optimized geometries and formation energies of hydrogen in the perovskite-type oxide, SrZrO 3 , have been calculated using the density functional theory under the generalized gradient approximation (GGA). The stable hydrogen sites in the oxide are examined with special interests. It is shown that the hydrogen is tightly bound to an oxygen ion and located slightly outside the ZrO 6 octahedron in SrZrO 3 . The O-H bond orientates towards the second-nearest-neighbor oxygen ion, which induces large local displacements of adjacent oxygen ions. For example, the nearest-neighbor oxygen ions tend to approach the hydrogen. The addition of an acceptor dopant, yttrium, modifies such local distortion of oxygen ions around the hydrogen as to increase protonic conductivity. In addition, the calculated hydrogen formation energy shows that the hydrogen behaves as a shallow donor in SrZrO 3 . The fundamental principles of doping and atmosphere control in proton conducting oxides are also given in view of energetics.

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Section: Hydrogen Site In Orthorhombic Srzrosupporting

confidence: 88%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Energetics of Hydrogen States in SrZrO3

et al. 2002

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“…They have short lifetimes, but one may study their oxidation state and environment by muon spin resonance (lSR) spectroscopy (an analog to NMR spectroscopy). This has been used to study hydrogen in semiconductors [34] and in some cases in relevant oxides [35].…”

Section: Various Procedures Are In Usementioning

confidence: 99%

Dense Ceramic Membranes for Hydrogen Separation

Norby

Haugsrud

2007

Membranes for Energy Conversion

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“…[2][3][4] Extensive experimental researches have been performed in order to elucidate the transport mechanism of proton in the perovskite-type oxides. [5][6][7][8][9][10][11][12][13][14][15] It is believed that the proton exists preferably in the neighborhood of oxygen ions and the OH-like ion bond is formed in the oxide. 16) However, the number of experimental reports on the precise proton position is very limited.…”

Section: Introductionmentioning

confidence: 99%

Local Geometry and Energetics of Hydrogen in Orthorhombic SrZrO3

et al. 2005

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The local geometry around hydrogen and activation energies for hydrogen transfer in undoped, Y-and Al-doped SrZrO 3 have been studied using the density functional theory under the generalized gradient approximation. It is shown that strong O-H bond is formed and orientated towards the outside of the ZrO 6 octahedron in SrZrO 3 . The hydrogen tends to approach the dopant ion in the doped oxides. It is found that large local distortion is induced around hydrogen and dopant ion, and affects the activation energy of hydrogen transfer largely. The calculated activation energies are in agreement with the experimental values in the doped oxides.

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Muon diffusion and trapping in proton conducting oxides

Cited by 122 publications

References 13 publications

Energetics of Hydrogen States in SrZrO<SUB>3</SUB>

Energetics of Hydrogen States in SrZrO<SUB>3</SUB>

Dense Ceramic Membranes for Hydrogen Separation

Local Geometry and Energetics of Hydrogen in Orthorhombic SrZrO<SUB>3</SUB>

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