Insights into the distinct lithiation/sodiation of porous cobalt oxide by in operando synchrotron x-ray techniques and ab initio molecular dynamics simulations

Xu, Gui -Liang; Sheng, Tian; Chong, Lina; Ma, Tianyuan; Sun, Cheng -Jun; Zuo, Xiaobing; Liu, Di -Jia; Ren, Yang; Zhang, Xiaoyi; Liu, Yuzi; Heald, Steve M.; Sun, Shi -Gang; Chen, Zonghai; Amine, Khalil

doi:10.1021/acs.nanolett.6b04294

Title: Insights into the distinct lithiation/sodiation of porous cobalt oxide by in operando synchrotron x-ray techniques and ab initio molecular dynamics simulations

Journal Article · Tue Jan 10 00:00:00 EST 2017 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.6b04294· OSTI ID:1373413

Xu, Gui -Liang ^[1]; Sheng, Tian ^[2]; Chong, Lina ^[1]; Ma, Tianyuan ^[3]; Sun, Cheng -Jun ^[1]; Zuo, Xiaobing ^[1]; Liu, Di -Jia ^[1]; Ren, Yang ^[1]; Zhang, Xiaoyi ^[1]; Liu, Yuzi ^[1]; Heald, Steve M. ^[1]; Sun, Shi -Gang ^[2];

^[1];

^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)
Xiamen Univ., Xiamen (China)
Univ. of Rochester, Rochester, NY (United States)

Sodium-ion batteries (SIBs) have been considered as one of the promising power source candidates for the stationary storage industries owing to the much lower cost of sodium than lithium. It is well-known that the electrode materials largely determine the energy density of the battery systems. However, recent discoveries on the electrode materials showed that most of them present distinct lithium and sodium storage performance, which is not yet well understood. In this work, we performed a comparative understanding on the structural changes of porous cobalt oxide during its electrochemical lithiation and sodiation process by in operando synchrotron small angel X-ray scattering, X-ray diffraction, and X-ray absorption spectroscopy. It was found that compared to the lithiation process, the porous cobalt oxide undergoes less pore structure changes, oxidation state, and local structure changes as well as crystal structure evolution during its sodiation process, which is attributed to the intrinsic low sodiation activity of cobalt oxide as evidenced by ab initio molecular dynamics simulations. Moreover, it was indicated that the sodiation activity of metal sulfides is higher than that of metal oxides, indicating a better candidate for SIBs. Furthermore, such understanding is crucial for future design and improvement of high-performance electrode materials for SIBs.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1373413

Journal Information:: Nano Letters, Vol. 17, Issue 2; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 20 works

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References (47)

Tuning the structure and property of nanostructured cathode materials of lithium ion and lithium sulfur batteries Xu, Gui-Liang; Wang, Qi; Fang, Jun-Chuan J. Mater. Chem. A, Vol. 2, Issue 47 https://doi.org/10.1039/C4TA03823A	journal	January 2014
Nanostructured Black Phosphorus/Ketjenblack–Multiwalled Carbon Nanotubes Composite as High Performance Anode Material for Sodium-Ion Batteries Xu, Gui-Liang; Chen, Zonghai; Zhong, Gui-Ming Nano Letters, Vol. 16, Issue 6 https://doi.org/10.1021/acs.nanolett.6b01777	journal	May 2016
Red Phosphorus–Single-Walled Carbon Nanotube Composite as a Superior Anode for Sodium Ion Batteries Zhu, Yujie; Wen, Yang; Fan, Xiulin ACS Nano, Vol. 9, Issue 3 https://doi.org/10.1021/acsnano.5b00376	journal	February 2015
Na-Ion Battery Anodes: Materials and Electrochemistry Luo, Wei; Shen, Fei; Bommier, Clement Accounts of Chemical Research, Vol. 49, Issue 2 https://doi.org/10.1021/acs.accounts.5b00482	journal	January 2016
Routes to High Energy Cathodes of Sodium-Ion Batteries Fang, Chun; Huang, Yunhui; Zhang, Wuxing Advanced Energy Materials, Vol. 6, Issue 5 https://doi.org/10.1002/aenm.201501727	journal	December 2015
Mesoporous Amorphous FePO ₄ Nanospheres as High-Performance Cathode Material for Sodium-Ion Batteries Fang, Yongjin; Xiao, Lifen; Qian, Jiangfeng Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl501152f	journal	May 2014
Research Development on Sodium-Ion Batteries Yabuuchi, Naoaki; Kubota, Kei; Dahbi, Mouad Chemical Reviews, Vol. 114, Issue 23 https://doi.org/10.1021/cr500192f	journal	October 2014
Ultrafine Iron Pyrite (FeS ₂ ) Nanocrystals Improve Sodium–Sulfur and Lithium–Sulfur Conversion Reactions for Efficient Batteries Douglas, Anna; Carter, Rachel; Oakes, Landon ACS Nano, Vol. 9, Issue 11 https://doi.org/10.1021/acsnano.5b04700	journal	October 2015
High-Density Sodium and Lithium Ion Battery Anodes from Banana Peels Lotfabad, Elmira Memarzadeh; Ding, Jia; Cui, Kai ACS Nano, Vol. 8, Issue 7, p. 7115-7129 https://doi.org/10.1021/nn502045y	journal	June 2014
Single-Layered Ultrasmall Nanoplates of MoS ₂ Embedded in Carbon Nanofibers with Excellent Electrochemical Performance for Lithium and Sodium Storage Zhu, Changbao; Mu, Xiaoke; van Aken, Peter A. Angewandte Chemie International Edition, Vol. 53, Issue 8 https://doi.org/10.1002/anie.201308354	journal	January 2014
Top-Down Synthesis of Open Framework Fluoride for Lithium and Sodium Batteries Li, Chilin; Yin, Congling; Mu, Xiaoke Chemistry of Materials, Vol. 25, Issue 6 https://doi.org/10.1021/cm304127c	journal	March 2013
High-Capacity, High-Rate Bi–Sb Alloy Anodes for Lithium-Ion and Sodium-Ion Batteries Zhao, Yubao; Manthiram, Arumugam Chemistry of Materials, Vol. 27, Issue 8 https://doi.org/10.1021/acs.chemmater.5b00616	journal	April 2015
Electrospun materials for lithium and sodium rechargeable batteries: from structure evolution to electrochemical performance Wang, Heng-Guo; Yuan, Shuang; Ma, De-Long Energy & Environmental Science, Vol. 8, Issue 6 https://doi.org/10.1039/C4EE03912B	journal	January 2015
Facile Synthesis of Highly Porous Ni–Sn Intermetallic Microcages with Excellent Electrochemical Performance for Lithium and Sodium Storage Liu, Jun; Wen, Yuren; van Aken, Peter A. Nano Letters, Vol. 14, Issue 11 https://doi.org/10.1021/nl5028606	journal	October 2014
Electrochemical Performance of Porous Carbon/Tin Composite Anodes for Sodium-Ion and Lithium-Ion Batteries Xu, Yunhua; Zhu, Yujie; Liu, Yihang Advanced Energy Materials, Vol. 3, Issue 1 https://doi.org/10.1002/aenm.201200346	journal	September 2012
Reversible Na-Ion Uptake in Si Nanoparticles Xu, Yaolin; Swaans, Ellie; Basak, Shibabrata Advanced Energy Materials, Vol. 6, Issue 2 https://doi.org/10.1002/aenm.201501436	journal	November 2015
Subunits controlled synthesis of α-Fe ₂ O ₃ multi-shelled core–shell microspheres and their effects on lithium/sodium ion battery performances Wu, Zhen-guo; Zhong, Yan-jun; Liu, Jie Journal of Materials Chemistry A, Vol. 3, Issue 18 https://doi.org/10.1039/C5TA01334H	journal	January 2015
Li and Na storage behavior of bowl-like hollow Co3O4 microspheres as an anode material for lithium-ion and sodium-ion batteries Wen, Jian-Wu; Zhang, Da-Wei; Zang, Yong Electrochimica Acta, Vol. 132 https://doi.org/10.1016/j.electacta.2014.03.139	journal	June 2014
Transition metal oxides for high performance sodium ion battery anodes Jiang, Yinzhu; Hu, Meijuan; Zhang, Dan Nano Energy, Vol. 5 https://doi.org/10.1016/j.nanoen.2014.02.002	journal	April 2014
A facile synthesis of Fe ₃ O ₄ nanoparticles/graphene for high-performance lithium/sodium-ion batteries Fu, Yanqing; Wei, Qiliang; Wang, Xianyou RSC Advances, Vol. 6, Issue 20 https://doi.org/10.1039/C5RA25835A	journal	January 2016
Germanium as a Sodium Ion Battery Material: In Situ TEM Reveals Fast Sodiation Kinetics with High Capacity Lu, Xiaotang; Adkins, Emily R.; He, Yang Chemistry of Materials, Vol. 28, Issue 4 https://doi.org/10.1021/acs.chemmater.6b00200	journal	February 2016
Activation with Li Enables Facile Sodium Storage in Germanium Kohandehghan, Alireza; Cui, Kai; Kupsta, Martin Nano Letters, Vol. 14, Issue 10 https://doi.org/10.1021/nl502812x	journal	September 2014
Sodium Ion Diffusion in Al ₂ O ₃ : A Distinct Perspective Compared with Lithium Ion Diffusion Jung, Sung Chul; Kim, Hyung-Jin; Choi, Jang Wook Nano Letters, Vol. 14, Issue 11 https://doi.org/10.1021/nl503169v	journal	October 2014
In situ TEM Observation of Lithiation and Sodiation Process of ZnO Nanowire Asayesh-Ardakani, Hasti; Nie, Anmin; Mashayek, Farzad Microscopy and Microanalysis, Vol. 21, Issue S3 https://doi.org/10.1017/S1431927615007643	journal	August 2015
In Situ Investigation of Li and Na Ion Transport with Single Nanowire Electrochemical Devices Xu, Xu; Yan, Mengyu; Tian, Xiaocong Nano Letters, Vol. 15, Issue 6 https://doi.org/10.1021/acs.nanolett.5b00705	journal	May 2015
Sodiation Kinetics of Metal Oxide Conversion Electrodes: A Comparative Study with Lithiation He, Kai; Lin, Feng; Zhu, Yizhou Nano Letters, Vol. 15, Issue 9 https://doi.org/10.1021/acs.nanolett.5b01709	journal	August 2015
Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries Mayo, Martin; Griffith, Kent J.; Pickard, Chris J. Chemistry of Materials, Vol. 28, Issue 7 https://doi.org/10.1021/acs.chemmater.5b04208	journal	March 2016
Insight into the Capacity Fading Mechanism of Amorphous Se ₂ S ₅ Confined in Micro/Mesoporous Carbon Matrix in Ether-Based Electrolytes Xu, Gui-Liang; Ma, Tianyuan; Sun, Cheng-Jun Nano Letters, Vol. 16, Issue 4 https://doi.org/10.1021/acs.nanolett.6b00318	journal	March 2016
PEDOT-PSS coated ZnO/C hierarchical porous nanorods as ultralong-life anode material for lithium ion batteries Xu, Gui-Liang; Li, Yan; Ma, Tianyuan Nano Energy, Vol. 18 https://doi.org/10.1016/j.nanoen.2015.10.020	journal	November 2015
(De)Lithiation Mechanism of Li/SeS _x ( x = 0–7) Batteries Determined by in Situ Synchrotron X-ray Diffraction and X-ray Absorption Spectroscopy Cui, Yanjie; Abouimrane, Ali; Lu, Jun Journal of the American Chemical Society, Vol. 135, Issue 21 https://doi.org/10.1021/ja402597g	journal	May 2013
In Operando Monitoring of the Pore Dynamics in Ordered Mesoporous Electrode Materials by Small Angle X-ray Scattering Park, Gwi Ok; Yoon, Jeongbae; Park, Eunjun ACS Nano, Vol. 9, Issue 5 https://doi.org/10.1021/acsnano.5b01378	journal	April 2015
Discovery of abnormal lithium-storage sites in molybdenum dioxide electrodes Shon, Jeong Kuk; Lee, Hyo Sug; Park, Gwi Ok Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11049	journal	March 2016
Investigation of Oxygen Reduction Activity of Catalysts Derived from Co and Co/Zn Methyl-Imidazolate Frameworks in Proton Exchange Membrane Fuel Cells Chong, Lina; Goenaga, Gabriel A.; Williams, Kia ChemElectroChem, Vol. 3, Issue 10 https://doi.org/10.1002/celc.201600163	journal	May 2016
Synthesis of Co3O4 nano-octahedra enclosed by {111} facets and their excellent lithium storage properties as anode material of lithium ion batteries Xu, Gui-Liang; Li, Jun-Tao; Huang, Ling Nano Energy, Vol. 2, Issue 3 https://doi.org/10.1016/j.nanoen.2012.11.005	journal	May 2013
Understanding Origin of Voltage Hysteresis in Conversion Reaction for Na Rechargeable Batteries: The Case of Cobalt Oxides Kim, Haegyeom; Kim, Hyunchul; Kim, Hyungsub Advanced Functional Materials, Vol. 26, Issue 28 https://doi.org/10.1002/adfm.201601357	journal	May 2016
Nano-sized transition-metal oxides as negative-electrode materials for lithium-ion batteries Poizot, P.; Laruelle, S.; Grugeon, S. Nature, Vol. 407, Issue 6803, p. 496-499 https://doi.org/10.1038/35035045	journal	September 2000
Black Phosphorus as a High-Capacity, High-Capability Negative Electrode for Sodium-Ion Batteries: Investigation of the Electrode/Electrolyte Interface Dahbi, Mouad; Yabuuchi, Naoaki; Fukunishi, Mika Chemistry of Materials, Vol. 28, Issue 6 https://doi.org/10.1021/acs.chemmater.5b03524	journal	February 2016
Facile synthesis of porous MnO/C nanotubes as a high capacity anode material for lithium ion batteries Xu, Gui-Liang; Xu, Yue-Feng; Sun, Hui Chemical Communications, Vol. 48, Issue 68 https://doi.org/10.1039/c2cc34218a	journal	January 2012
Hierarchical hollow spheres composed of ultrathin Fe2O3 nanosheets for lithium storage and photocatalytic water oxidation Zhu, Jixin; Yin, Zongyou; Yang, Dan Energy & Environmental Science, Vol. 6, Issue 3 https://doi.org/10.1039/c2ee24148j	journal	January 2013
Room-temperature synthesis of Co(OH)2 hexagonal sheets and their topotactic transformation into Co3O4 (111) porous structure with enhanced lithium-storage properties Li, Xue; Xu, Gui-Liang; Fu, Fang Electrochimica Acta, Vol. 96 https://doi.org/10.1016/j.electacta.2013.01.043	journal	April 2013
Graphene Anchored with Co₃O₄ Nanoparticles as Anode of Lithium Ion Batteries with Enhanced Reversible Capacity and Cyclic Performance Wu, Zhong-Shuai; Ren, Wencai; Wen, Lei ACS Nano, Vol. 4, Issue 6, p. 3187-3194 https://doi.org/10.1021/nn100740x	journal	June 2010
Three-dimensional NiCo ₂ O ₄ nanowire arrays: preparation and storage behavior for flexible lithium-ion and sodium-ion batteries with improved electrochemical performance Mo, Yudi; Ru, Qiang; Chen, Junfen Journal of Materials Chemistry A, Vol. 3, Issue 39 https://doi.org/10.1039/C5TA05931C	journal	January 2015
The redox mechanism of FeS ₂ in non-aqueous electrolytes for lithium and sodium batteries Zhang, Sheng S. Journal of Materials Chemistry A, Vol. 3, Issue 15 https://doi.org/10.1039/C5TA00623F	journal	January 2015
Conversion mechanisms of cobalt oxide anode for Li-ion battery: In situ X-ray absorption fine structure studies Chae, Byung-Mok; Oh, Eun-Suok; Lee, Yong-Kul Journal of Power Sources, Vol. 274 https://doi.org/10.1016/j.jpowsour.2014.10.108	journal	January 2015
Co ₃ S ₄ porous nanosheets embedded in graphene sheets as high-performance anode materials for lithium and sodium storage Du, Yichen; Zhu, Xiaoshu; Zhou, Xiaosi Journal of Materials Chemistry A, Vol. 3, Issue 13 https://doi.org/10.1039/C5TA00621J	journal	January 2015
Pyrite (FeS ₂ ) nanocrystals as inexpensive high-performance lithium-ion cathode and sodium-ion anode materials Walter, Marc; Zünd, Tanja; Kovalenko, Maksym V. Nanoscale, Vol. 7, Issue 20 https://doi.org/10.1039/C5NR00398A	journal	January 2015
Synthesis of MoS ₂ @C Nanotubes Via the Kirkendall Effect with Enhanced Electrochemical Performance for Lithium Ion and Sodium Ion Batteries Zhang, Xueqian; Li, Xiaona; Liang, Jianwen Small, Vol. 12, Issue 18 https://doi.org/10.1002/smll.201600043	journal	March 2016

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Enhanced mechanical properties and thermal stability of cellulose insulation paper achieved by doping with melamine-grafted nano-SiO2 Tang, Chao; Zhang, Song; Wang, Xiaobo Cellulose, Vol. 25, Issue 6 https://doi.org/10.1007/s10570-018-1813-4	journal	May 2018
Rambutan‐Like Hybrid Hollow Spheres of Carbon Confined Co ₃ O ₄ Nanoparticles as Advanced Anode Materials for Sodium‐Ion Batteries Xu, Meng; Xia, Qiuying; Yue, Jili Advanced Functional Materials, Vol. 29, Issue 6 https://doi.org/10.1002/adfm.201807377	journal	December 2018
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36 MATERIALS SCIENCE
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in operando X-ray
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Title: Insights into the distinct lithiation/sodiation of porous cobalt oxide by in operando synchrotron x-ray techniques and ab initio molecular dynamics simulations

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