Proton distribution in Sc-doped BaZrO3: a solid state NMR and first principle calculations analysis

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics

(2015) Rıza Dervişoğlu et al.   CHEMISTRY OF MATERIALS

Correlation among Oxygen Vacancies, Protonic Defects, and the Acceptor Dopant in Sc-Doped BaZrO3 Studied by 45Sc Nuclear Magnetic Resonance

(2015) Itaru Oikawa et al.   CHEMISTRY OF MATERIALS

First-Principles Insight into the Hydration Ability and Proton Conduction of the Solid State Proton Conductor, Y and Sn Co-Doped BaZrO3

(2015) James A. Dawson et al.   CHEMISTRY OF MATERIALS

Proton trapping in Y and Sn Co-doped BaZrO3

(2015) James A. Dawson et al.   Journal of Materials Chemistry A

Proton Distribution and Dynamics in Y- and Zn-Doped BaZrO3

(2014) Naoto Kitamura et al.   Journal of Physical Chemistry C

Dynamic Nuclear Polarization NMR of Low-γ Nuclei: Structural Insights into Hydrated Yttrium-Doped BaZrO3

(2014) Frédéric Blanc et al.   Journal of Physical Chemistry Letters

Enthalpy of formation and thermodynamic insights into yttrium doped BaZrO3

(2014) M. D. Gonçalves et al.   Journal of Materials Chemistry A

Determining hydrogen-bond interactions in spider silk with 1H–13C HETCOR fast MAS solid-state NMR and DFT proton chemical shift calculations

(2013) Gregory P. Holland et al.   CHEMICAL COMMUNICATIONS

Understanding the Conduction Mechanism of the Protonic Conductor CsH2PO4 by Solid-State NMR Spectroscopy

(2013) Gunwoo Kim et al.   Journal of Physical Chemistry C

Proton trapping in yttrium-doped barium zirconate

(2013) Yoshihiro Yamazaki et al.   NATURE MATERIALS

Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy

(2013) Maria Baias et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water in the Earth's mantle: a solid-state NMR study of hydrous wadsleyite

(2013) John M. Griffin et al.   Chemical Science

Probing Cation and Vacancy Ordering in the Dry and Hydrated Yttrium-Substituted BaSnO3 Perovskite by NMR Spectroscopy and First Principles Calculations: Implications for Proton Mobility

(2012) Lucienne Buannic et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural properties of Y-doped BaZrO3 as a function of dopant concentration and position: A density functional study

(2012) D. Zeudmi Sahraoui et al.   SOLID STATE IONICS

Long-Range and Short-Range Structure of Proton-Conducting Y:BaZrO3

(2011) Francesco Giannici et al.   CHEMISTRY OF MATERIALS

Defects in Doped LaGaO3Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics

(2011) Frédéric Blanc et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the symmetry of defects in perovskite-type protonic conductors:A Sc-45 NMR study

(2011) Itaru Oikawa et al.   SOLID STATE IONICS

Solid-state NMR calculations for metal oxides and gallates: Shielding and quadrupolar parameters for perovskites and related phases

(2010) Derek S. Middlemiss et al.   JOURNAL OF MAGNETIC RESONANCE

Probing the local structures and protonic conduction pathways in scandium substituted BaZrO3 by multinuclear solid-state NMR spectroscopy

(2010) Lucienne Buannic et al.   JOURNAL OF MATERIALS CHEMISTRY

Defect chemistry and proton-dopant association in BaZrO3 and BaPrO3

(2010) Stephen J. Stokes et al.   JOURNAL OF MATERIALS CHEMISTRY

Cation non-stoichiometry in yttrium-doped barium zirconate: phase behavior, microstructure, and proton conductivity

(2010) Yoshihiro Yamazaki et al.   JOURNAL OF MATERIALS CHEMISTRY

Defects in scandium doped barium zirconate studied by Sc-45 NMR

(2010) Itaru Oikawa et al.   SOLID STATE IONICS

High Total Proton Conductivity in Large-Grained Yttrium-Doped Barium Zirconate

(2009) Yoshihiro Yamazaki et al.   CHEMISTRY OF MATERIALS

Proton diffusion pathways and rates in Y-doped BaZrO3 solid oxide electrolyte from quantum mechanics

(2009) Boris Merinov et al.   JOURNAL OF CHEMICAL PHYSICS

Proton Distributions and Hydrogen Bonding in Crystalline and Glassy Hydrous Silicates and Related Inorganic Materials: Insights from High-Resolution Solid-State Nuclear Magnetic Resonance Spectroscopy

(2009) Xianyu Xue et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Short-range structure of proton-conducting BaM0.10Zr0.90O2.95 (M=Y, In, Sc and Ga) investigated with vibrational spectroscopy

(2009) Maths Karlsson et al.   SOLID STATE IONICS

Defect Chemistry of Yttrium-Doped Barium Zirconate: A Thermodynamic Analysis of Water Uptake

(2008) Yoshihiro Yamazaki et al.   CHEMISTRY OF MATERIALS

Indirect Raman identification of the proton insertion in the high-temperature [Ba/Sr][Zr/Ti]O3-modified perovskite protonic conductors

(2008) Aneta Slodczyk et al.   JOURNAL OF RAMAN SPECTROSCOPY

Crystal Structure and Proton Conductivity of BaZr0.9Sc0.1O3−δ

(2008) Istaq Ahmed et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Hydration properties ofBaSn0.875M0.125O3−δsubstituted by large dopants (M=In, Y, Gd, and Sm) from first principles

(2008) Émile Bévillon et al.   PHYSICAL REVIEW B