SIC OpenIR
Understanding the thermodynamic properties of 20% CeO2 stabilized ZrO2 coatings with atomistic modeling and simulations
Gul, Sahar Ramin; Khan, Matiullah; Zeng, Yi; Wu, Bo
2019-07-01
Source PublicationMATERIALS RESEARCH EXPRESS
ISSN2053-1591
Volume6Issue:7
SubtypeArticle
AbstractTo understand the improved stability and reduced thermal conductivity of 20% CeO2 stabilized ZrO2 coatings compared to pure zirconia, different Ce doped ZrO2 systems are modeled. The Ce insertion in ZrO2 lattice elongates the lattice parameters and the elongation is proportional to the Ce doping concentration. Moreover, the cell volume linearly increases with the Ce doping level. X-ray diffraction analysis confirmed the Zr0.84Ce0.16O2 phase, describing the substitutional Ce doped at Zr sites. Ce doping modified the electronic band structure of ZrO2 without creating any isolated states in the band gap. The Ce4Zr12O32 modeled system with Ce doping concentration of 8.33% provided the stable phonon density of states curves compared to the pure and doped systems. Ce doping reduced the thermal conductivity of ZrO2. Increasing Ce doping level further reduced the thermal conductivity reaching the maximum reduction at 8.33% doping concentration. Further increase in the Ce level has no effective reduction in the thermal conductivity values. The reduced thermal conductivity is attributed to the enhanced phonon scattering due to the substitutional Ce4+ dopant and optimal doping concentration. The experimental observation could be satisfactorily explained by the calculations results.
Keyword20% CeO2 stabilized ZrO2 ab-initio calculations thermal conductivity thermal barrier coatings
DOI10.1088/2053-1591/ab1424
Language英语
WOS Research AreaMaterials Science
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/27029
Collection中国科学院上海硅酸盐研究所
Recommended Citation
GB/T 7714
Gul, Sahar Ramin,Khan, Matiullah,Zeng, Yi,et al. Understanding the thermodynamic properties of 20% CeO2 stabilized ZrO2 coatings with atomistic modeling and simulations[J]. MATERIALS RESEARCH EXPRESS,2019,6(7).
APA Gul, Sahar Ramin,Khan, Matiullah,Zeng, Yi,&Wu, Bo.(2019).Understanding the thermodynamic properties of 20% CeO2 stabilized ZrO2 coatings with atomistic modeling and simulations.MATERIALS RESEARCH EXPRESS,6(7).
MLA Gul, Sahar Ramin,et al."Understanding the thermodynamic properties of 20% CeO2 stabilized ZrO2 coatings with atomistic modeling and simulations".MATERIALS RESEARCH EXPRESS 6.7(2019).
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Gul, Sahar Ramin]'s Articles
[Khan, Matiullah]'s Articles
[Zeng, Yi]'s Articles
Baidu academic
Similar articles in Baidu academic
[Gul, Sahar Ramin]'s Articles
[Khan, Matiullah]'s Articles
[Zeng, Yi]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Gul, Sahar Ramin]'s Articles
[Khan, Matiullah]'s Articles
[Zeng, Yi]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.