منابع مشابه
Enhanced Proton Conductivity in Y‐Doped BaZrO3 via Strain Engineering
The effects of stress-induced lattice distortions (strain) on the conductivity of Y-doped BaZrO3, a high-temperature proton conductor with key technological applications for sustainable electrochemical energy conversion, are studied. Highly ordered epitaxial thin films are grown in different strain states while monitoring the stress generation and evolution in situ. Enhanced proton conductivity...
متن کاملProton diffusion pathways and rates in Y-doped BaZrO3 solid oxide electrolyte from quantum mechanics.
We carried out quantum mechanical calculations (Perdew-Becke-Ernzerhof flavor of density functional theory) on 12.5% Y-doped BaZrO(3) (BYZ) periodic structures to obtain energy barriers for intraoctahedral and interoctahedral proton transfers. We find activation energy (E(a)) values of 0.48 and 0.49 eV for the intraoctahedral proton transfers on O-O edges (2.58 and 2.59 A) of ZrO(6) and YO(6) o...
متن کاملAnelastic Relaxation of Protonic Defects in M3+-Doped BaCeO3
When perovskite-structured BaCe03 is doped with M ~ + ions (e.g., ~ d ~ + , Gd3+,yb33 that substitute on ce4+ sites, oxygen-ion vacancies are created for charge compensation. However, when treated in water vapor, the vacancies are replaced by protons, which take the form of OH' ions. This treatment makes the materials a good protonic conductor. Questions about the defect structure of the proton...
متن کاملReaxFF reactive force field for the Y-doped BaZrO3 proton conductor with applications to diffusion rates for multigranular systems.
Proton-conducting perovskites such as Y-doped BaZrO 3 (BYZ) are promising candidates as electrolytes for a proton ceramic fuel cell (PCFC) that might permit much lower temperatures (from 400 to 600 degrees C). However, these materials lead to relatively poor total conductivity ( approximately 10 (-4) S/cm) because of extremely high grain boundary resistance. In order to provide the basis for im...
متن کاملDynamic Nuclear Polarization NMR of Low-γ Nuclei: Structural Insights into Hydrated Yttrium-Doped BaZrO3.
We demonstrate that solid-state NMR spectra of challenging nuclei with a low gyromagnetic ratio such as yttrium-89 can be acquired quickly with indirect dynamic nuclear polarization (DNP) methods. Proton to (89)Y cross polarization (CP) magic angle spinning (MAS) spectra of Y(3+) in a frozen aqueous solution were acquired in minutes using the AMUPol biradical as a polarizing agent. Subsequently...
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ژورنال
عنوان ژورنال: Journal of Nanomaterials
سال: 2016
ISSN: 1687-4110,1687-4129
DOI: 10.1155/2016/8757305