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Atomistic origin of high-concentration Ce3+ in {100}-faceted Cr-substituted CeO2 nanocrystals
Hao, Xiaodong1,2; Yoko, Akira2; Inoue, Kazutoshi2; Xu, Yang1; Saito, Mitsuhiro3; Chen, Chunlin2,4; Seong, Gimyeong5; Tomai, Takaaki6; Takami, Seiichi7; Shluger, Alexander L.2,8; Xu, Bingshe1; Adschiri, Tadafumi2,5,6; Ikuhara, Yuichi2,3
Corresponding AuthorHao, Xiaodong(hao.xiaodong@sust.edu.cn) ; Adschiri, Tadafumi(tadafumi.ajiri.b1@tohoku.ac.jp) ; Ikuhara, Yuichi(ikuhara@sigma.t.u-tokyo.ac.jp)
2021-01-15
Source PublicationACTA MATERIALIA
ISSN1359-6454
Volume203Pages:10
AbstractImproving the potential of promising CeO2-based nanocatalysts in practical applications requires an atomic-scale analysis of the effects of active dopants on the distribution of Ce valence states and the formation of oxygen vacancies (V(O)s). In this study, a Cr dopant is introduced into the cubic {100}-faceted CeO2 nanocrystals (NCs) with an average size of 7.8 nm via supercritical water. The Cr dopants substitute Ce sites in the amount of approximately 3 mon. Based on the aberration-corrected STEM-EELS, the effects of Cr dopant on the distribution of cerium valence states are investigated layer by layer across the ultrafine Cr-substituted CeO2 NC perpendicular to the {100} exposed facet. It is found that an increased amount of Ce3+ cations is present in Cr-substituted CeO2 NCs, particularly in the internal atomic layers, compared to the pristine CeO2 NCs. The atomic-scale analysis of the local structure combined with theoretical calculations demonstrates that Cr dopant reduces the formation energy of V(O)s and increases the mobility of oxygen atoms for the nano-sized CeO2. These effects, in principle, result in an improved oxygen storage capacity and provide a fundamental understanding of role of the dopant in the formation and distribution of V(O)s in the doped CeO2 NCs. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
KeywordCr-substituted CeO2 nanocrystals STEM -EELS The distribution of CO3+ cations {100} exposing facets Oxygen storage capacity
Funding OrganizationNational Natural Science Foundation of China ; Natural Science Special Project of Education Department of Shaanxi Province ; Natural Science Foundation of Shdanxi Province ; Scientific Research Foundation of Shaanxi University of Science and Technology ; Japan Science and Technology Agency (JST) [MIRAI] ; Japan Science and Technology Agency (JST) [CREST] ; New Energy and Industrial Technology Development Organization of Japan (NEDO) ; JSPS KAKENHI ; Materials Processing Science Project (Materealize) of the Ministry of Education, Culture, Sports, Science and Technology (MEXT) ; Professional Development Consortium for Computational Materials Scientists (PCoMS) ; World Premier International Research Center Initiative (WPI), MEXT, Japan ; JSPS ; MEXT ; EPSRC ; Leverhulme Trust
DOI10.1016/j.actamat.2020.11.015
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foundation of China[21902096] ; Natural Science Special Project of Education Department of Shaanxi Province[19JK0136] ; Natural Science Foundation of Shdanxi Province[2020JQ-709] ; Scientific Research Foundation of Shaanxi University of Science and Technology ; Japan Science and Technology Agency (JST) [MIRAI][JPMJMI17E4] ; Japan Science and Technology Agency (JST) [CREST][JPMJCP16P3] ; New Energy and Industrial Technology Development Organization of Japan (NEDO) ; JSPS KAKENHI[JP161-106.367] ; Materials Processing Science Project (Materealize) of the Ministry of Education, Culture, Sports, Science and Technology (MEXT)[JPMXP0219192801] ; Professional Development Consortium for Computational Materials Scientists (PCoMS) ; World Premier International Research Center Initiative (WPI), MEXT, Japan ; JSPS[JPMXP09A17UT0232] ; JSPS[17H06094] ; MEXT[JPMXP09A17UT0232] ; EPSRC[EP/P013503/1] ; Leverhulme Trust[RPG-2016135]
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000600589700020
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/158904
Collection中国科学院金属研究所
Corresponding AuthorHao, Xiaodong; Adschiri, Tadafumi; Ikuhara, Yuichi
Affiliation1.Shaanxi Univ Sci & Technol, Mat Inst Atom & Mol Sci, Xian 710021, Peoples R China
2.Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan
3.Univ Tokyo, Inst Engn Innovat, Tokyo 1138656, Japan
4.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
5.Tohoku Univ, New Ind Creat Hatchery Ctr, Sendai, Miyagi 9808579, Japan
6.Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan
7.Nagoya Univ, Grad Sch Engn, Nagoya, Aichi 4648603, Japan
8.UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
Recommended Citation
GB/T 7714
Hao, Xiaodong,Yoko, Akira,Inoue, Kazutoshi,et al. Atomistic origin of high-concentration Ce3+ in {100}-faceted Cr-substituted CeO2 nanocrystals[J]. ACTA MATERIALIA,2021,203:10.
APA Hao, Xiaodong.,Yoko, Akira.,Inoue, Kazutoshi.,Xu, Yang.,Saito, Mitsuhiro.,...&Ikuhara, Yuichi.(2021).Atomistic origin of high-concentration Ce3+ in {100}-faceted Cr-substituted CeO2 nanocrystals.ACTA MATERIALIA,203,10.
MLA Hao, Xiaodong,et al."Atomistic origin of high-concentration Ce3+ in {100}-faceted Cr-substituted CeO2 nanocrystals".ACTA MATERIALIA 203(2021):10.
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