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Lithium-desorption mechanism in LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4 according to precisely controlled acid treatment and density functional theory calculations
Gao, Aolei1,2; Hou, Xinjuan1,2; Sun, Zhenhua1; Li, Shaopeng1; Li, Huiquan1,2; Zhang, Jianbo1
2019-09-28
Source PublicationJOURNAL OF MATERIALS CHEMISTRY A
ISSN2050-7488
Volume7Issue:36Pages:20878-20890
AbstractSpinel-type lithium manganese oxides (LMOs) are the most promising lithium-adsorption materials. LMOs can be in the form of solid solutions of LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4. However, uncertainty about the lithium-desorption mechanism restricts material development. The synthesis of intermediate products of spinel-type LMOs during acid treatment is important to investigate such a mechanism. In this work, precisely controlled acid treatment experiments were performed to successfully obtain the intermediate products of LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4. For LiMn2O4, lithium was desorbed with the dissolution of manganese. For Li1.33Mn1.67O4 and Li1.6Mn1.6O4, the lithium-desorption mechanism was an ion-exchange reaction, where lithium ions (Li+) in the 8a sites were prioritized for the ion-exchange reaction compared with Li+ in the 16d sites. Density functional theory (DFT) calculation results confirmed the experimental results and explained that the prioritization of Li+ in the 8a sites arose from its lower reaction-energy barrier, thereby revealing that Li+ preferred to move to the nearest vacant 8a sites when lithium was desorbed because of the lower diffusion-energy barrier. This work is the first to clarify the lithium-desorption mechanism through experiments and DFT calculations, and thus lays a foundation for the further exploitation of LMOs.
DOI10.1039/c9ta06080d
Language英语
WOS KeywordJAHN-TELLER-DISTORTION ; ION-EXCHANGE ; MANGANESE OXIDES ; LOCAL-STRUCTURE ; STRUCTURE REFINEMENT ; PROTON INSERTION ; LI+ INSERTION ; SPINEL ; EXTRACTION ; RECOVERY
Funding ProjectNational Nature Science Foundation of China[U1810205] ; National Nature Science Foundation of China[51804293] ; Shanxi Province Coal Based Low-carbon Technology Major Projects[MC2016-05] ; Chinese Academy of Sciences[ZDRW-ZS-2018-1]
WOS Research AreaChemistry ; Energy & Fuels ; Materials Science
WOS SubjectChemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary
Funding OrganizationNational Nature Science Foundation of China ; Shanxi Province Coal Based Low-carbon Technology Major Projects ; Chinese Academy of Sciences
WOS IDWOS:000488618600044
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/31252
Collection中国科学院过程工程研究所
Corresponding AuthorHou, Xinjuan; Li, Shaopeng; Li, Huiquan
Affiliation1.Chinese Acad Sci, Inst Proc Engn, Natl Engn Lab Hydromet Cleaner Prod Technol, CAS Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100149, Peoples R China
Recommended Citation
GB/T 7714
Gao, Aolei,Hou, Xinjuan,Sun, Zhenhua,et al. Lithium-desorption mechanism in LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4 according to precisely controlled acid treatment and density functional theory calculations[J]. JOURNAL OF MATERIALS CHEMISTRY A,2019,7(36):20878-20890.
APA Gao, Aolei,Hou, Xinjuan,Sun, Zhenhua,Li, Shaopeng,Li, Huiquan,&Zhang, Jianbo.(2019).Lithium-desorption mechanism in LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4 according to precisely controlled acid treatment and density functional theory calculations.JOURNAL OF MATERIALS CHEMISTRY A,7(36),20878-20890.
MLA Gao, Aolei,et al."Lithium-desorption mechanism in LiMn2O4, Li1.33Mn1.67O4, and Li1.6Mn1.6O4 according to precisely controlled acid treatment and density functional theory calculations".JOURNAL OF MATERIALS CHEMISTRY A 7.36(2019):20878-20890.
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