Density functional theory modeling of cation diffusion in tetragonal bulk ZrO2 : Effects of humidity and hydrogen defect complexes on cation transport-Reference-Cited by-同舟云学术

Density functional theory modeling of cation diffusion in tetragonal bulk ZrO2 : Effects of humidity and hydrogen defect complexes on cation transport

Published:2021-02-08 Issue:1 Volume:3 Page:
ISSN:2643-1564
Container-title:Physical Review Research
language:en
Short-container-title:Phys. Rev. Research

Author:

Lee Yueh-Lin^ORCID,Duan Yuhua^ORCID,Sorescu Dan C.,Morgan Dane,Abernathy Harry,Kalapos Thomas,Hackett Gregory^ORCID

Funder

National Energy Technology Laboratory

U.S. Department of Energy

Publisher

American Physical Society (APS)

Subject

General Engineering

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevResearch.3.013121/fulltext

Reference43 articles.

1. The Tetragonal-Monoclinic Transformation in Zirconia: Lessons Learned and Future Trends

2. Recent Achievements of NEDO Durability Project with an Emphasis on Correlation Between Cathode Overpotential and Ohmic Loss

3. Simulation Technology on SOFC Durability With an Emphasis on Conductivity Degradation of ZrO2-Base Electrolyte

4. Diffusion, diffusion creep and grain growth characteristics of nanocrystalline and fine-grained monoclinic, tetragonal and cubic zirconia

5. Cation Mobility in Y₂O₃- and CaO-Stabilised ZrO₂ Studied by Tracer Diffusion and Mechanical Spectroscopy

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Proton diffusion in two model grain boundaries of monoclinic zirconia;Acta Materialia;2024-07

2. Oxygen Vacancies in Zirconia and Their Migration: The Role of Hubbard-U Parameters in Density Functional Theory;Crystals;2023-03-28

3. Defect Thermodynamics and Transport Properties of Proton Conducting Oxide BaZr1−xYxO3−δ (x ≤ 0.1) Guided by Density Functional Theory Modeling;JOM;2022-10-24

4. Modeling Ni redistribution in the hydrogen electrode of solid oxide cells through Ni(OH)2 diffusion and Ni-YSZ wettability change;Journal of Power Sources;2022-10

5. Hydrogen diffusion coefficient in monoclinic zirconia in presence of oxygen vacancies;International Journal of Hydrogen Energy;2022-09