Oxygen Ion and Proton Transport in Mixed Metal Oxides

1998 ◽  
Vol 527 ◽  
Author(s):  
M. Saiful Islam
Keyword(s):  
Computational Techniques ◽  
Ion Diffusion ◽  
Oxygen Ion ◽  
Recent Developments ◽  
Contemporary Work ◽  
Diffusion Mechanisms ◽  
Fresh Insight ◽  
Perovskite Type ◽  
State Ionic ◽  
Diffusion Properties

ABSTRACTComputational techniques are now well established tools in the study of structural properties and transport mechanisms in solid state ionic materials. This paper will highlight recent developments of such methods, with a strong emphasis on their use in the elucidation of ion diffusion mechanisms or pathways at the atomic level. In particular, contemporary work will be illustrated by accounts of calculations on oxygen ion and proton conduction in LaMO3 perovskite-type oxides, which find use in various electrochemical applications. We have used atomistic simulation, molecular dynamics (MD) and ab initio techniques to provide fresh insight as to their defect and ion diffusion properties.

scholarly journals Distributed X-ray photon correlation spectroscopy data reduction using Hadoop MapReduce

2018 ◽  
Vol 25 (4) ◽  
pp. 1135-1143 ◽  
Author(s):  
Faisal Khan ◽  
Suresh Narayanan ◽  
Roger Sersted ◽  
Nicholas Schwarz ◽  
Alec Sandy
Keyword(s):  
Real Time ◽  
Photon Correlation Spectroscopy ◽  
Correlation Spectroscopy ◽  
Frame Rate ◽  
Computational Techniques ◽  
Complex Materials ◽  
Photon Correlation ◽  
X Ray ◽  
Wide Range ◽  
Recent Developments

Multi-speckle X-ray photon correlation spectroscopy (XPCS) is a powerful technique for characterizing the dynamic nature of complex materials over a range of time scales. XPCS has been successfully applied to study a wide range of systems. Recent developments in higher-frame-rate detectors, while aiding in the study of faster dynamical processes, creates large amounts of data that require parallel computational techniques to process in near real-time. Here, an implementation of the multi-tau and two-time autocorrelation algorithms using the Hadoop MapReduce framework for distributed computing is presented. The system scales well with regard to the increase in the data size, and has been serving the users of beamline 8-ID-I at the Advanced Photon Source for near real-time autocorrelations for the past five years.

scholarly journals Oxygen deficient layered double perovskite as an active cathode for CO2 electrolysis using a solid oxide conductor

2015 ◽  
Vol 182 ◽  
pp. 227-239 ◽  
Author(s):  
Tae Ho Shin ◽  
Jae-Ha Myung ◽  
Maarten Verbraeken ◽  
Guntae Kim ◽  
John T. S. Irvine
Keyword(s):  
Double Perovskite ◽  
Cathode Side ◽  
Layered Perovskite ◽  
Ion Diffusion ◽  
Oxide Electrode ◽  
Oxygen Ion ◽  
A Site ◽  
Oxygen Ion Diffusion ◽  
Co2 Electrolysis ◽  
A Current

A-site ordered PrBaMn2O5+δ was investigated as a potential cathode for CO2 electrolysis using a La0.9Sr0.1Ga0.8Mg0.2O3 (LSGM) electrolyte. The A-site ordered layered double perovskite, PrBaMn2O5+δ, was found to enhance electrocatalytic activity for CO2 reduction on the cathode side since it supports mixed valent transition metal cations such as Mn, which could provide high electrical conductivity and maintain a large oxygen vacancy content, contributing to fast oxygen ion diffusion. It was found that during the oxidation of the reduced PrBaMn2O5+δ (O5 phase) to PrBaMn2O6−δ (O6 phase), a reversible oxygen switchover in the lattice takes place. In addition, here the successful CO2 electrolysis was measured in LSGM electrolyte with this novel oxide electrode. It was found that this PrBaMn2O5+δ, layered perovskite cathode exhibits a performance with a current density of 0.85 A cm−2 at 1.5 V and 850 °C and the electrochemical properties were also evaluated by impedance spectroscopy.

Werkstoffaufbau und diffusiver Stofftransport aufgezeigt an ausgewählten Beispielen / Material structure and diffusive mass transport as pointed out by means of selected examples

2000 ◽  
Vol 6 (4) ◽  
pp. 429-450
Author(s):  
R. Kriegel ◽  
A. Buchwald ◽  
Ch. Kaps
Keyword(s):  
Mass Transport ◽  
Diffusion Coefficients ◽  
Transport Mechanism ◽  
Diffusion Models ◽  
Second Law ◽  
Material Structure ◽  
Ion Diffusion ◽  
Oxygen Ion ◽  
Oxygen Ion Diffusion

Abstract The diffusive mass transport in materials is above all determined by the material structure. The experimental determination of diffusion coefficients is based on diffusion models, which results from special mathematical solutions of Fick's second law and its corresponding boundary conditions. The general usefulness of these diffusion models will be described using some examples, e. g. the diffusion of deteriorating salts in masonry materials, the oxygen ion diffusion in mixed conducting ceramics and the cation exchange in single crystals. The measurement of the diffusion coefficients results in a better comprehension of the transport mechanism as well as of the "morphology" of the transport medium, which allows to optimize the conditions of the mass transport and the material structure and composition, respectively.

Understanding crystal structures, ion diffusion mechanisms and sodium storage behaviors of NASICON materials

2021 ◽  
Vol 34 ◽  
pp. 171-193 ◽  
Author(s):  
Ranjusha Rajagopalan ◽  
Zhengna Zhang ◽  
Yougen Tang ◽  
Chuankun Jia ◽  
Xiaobo Ji ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Ion Diffusion ◽  
Diffusion Mechanisms ◽  
Sodium Storage
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