Dynamically preferred state with strong electronic fluctuations from electrochemical synthesis of sodium manganate

Chen, Xi; Wang, Yichao; Wang, Yiping; Dally, Rebecca L.; Wiaderek, Kamila; Qiao, Tianyu; Liu, Jue; Hu, Enyuan; Burch, Kenneth; Lynn, Jeffrey W.; Li, Xin

doi:10.1016/j.matt.2021.12.012

Title: Dynamically preferred state with strong electronic fluctuations from electrochemical synthesis of sodium manganate

Journal Article · 01 February 2022 · Matter (Online)

DOI: https://doi.org/10.1016/j.matt.2021.12.012 · OSTI ID:1839216

Chen, Xi ^[1]; Wang, Yichao ^[1]; Wang, Yiping ^[2];

^[3];

^[4]; Qiao, Tianyu ^[1]; Liu, Jue ^[5];

^[6]; Burch, Kenneth ^[2];

^[3]; Li, Xin ^[1]

Harvard Univ., Cambridge, MA (United States)
Boston College, Chestnut Hill, MA (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Div.

Electrochemical (de)intercalation is a delicate method to precisely control the alkaline ion composition in alkaline transition metal oxides. Because of complicated interactions, metal charge ordering patterns can form spontaneously at special fractional alkaline compositions and orderings. In this study, we show that this elegant electrochemical process can create dynamically preferred structures in an anharmonic energy landscape that conventional syntheses and computations can rarely visit. Specifically, electrochemically prepared Na_1/2MnO₂ ordering exhibits abnormal structure distortions, charge orderings, and dynamical activities. Strong magnetic fluctuations and lattice dynamics are observed in an unusually wide temperature range in Na_1/2MnO₂, which distinguishes it from all other Na_xMnO₂ at higher or lower Na compositions. The results emphasize the unique opportunity of using electrochemical processes to design and create novel quantum states with strongly coupled and mutually enhanced electronic and lattice fluctuations, likely through a special dynamic charge flux functional, as suggested by our computational investigations.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: Harvard University; National Science Foundation (NSF); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science - Office of Basic Energy Sciences

Grant/Contract Number:: AC02-06CH11357; SC0012704; SC0018675

OSTI ID:: 1839216

Report Number(s):: BNL-222586-2022-JAAM

Journal Information:: Matter (Online), Journal Name: Matter (Online) Journal Issue: 2 Vol. 5; ISSN 2590-2385

Publisher:: Cell Press/ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (34)

Super Charge Separation and High Voltage Phase in Na _x MnO ₂ Chen, Xi; Wang, Yichao; Wiaderek, Kamila Advanced Functional Materials, Vol. 28, Issue 50 https://doi.org/10.1002/adfm.201805105	journal	October 2018
The Layered Oxides in Lithium and Sodium‐Ion Batteries: A Solid‐State Chemistry Approach Delmas, Claude; Carlier, Dany; Guignard, Marie Advanced Energy Materials, Vol. 11, Issue 2 https://doi.org/10.1002/aenm.202001201	journal	July 2020
Etude par desintercalation electrochimique des systemes NaxCrO2 et NaxNiO2 Braconnier, J. J.; Delmas, C.; Hagenmuller, P. Materials Research Bulletin, Vol. 17, Issue 8 https://doi.org/10.1016/0025-5408(82)90124-6	journal	August 1982
Electrochemical intercalation of sodium in NaxCoO2 bronzes Delmas, C.; Braconnier, J.; Fouassier, C. Solid State Ionics, Vol. 3-4 https://doi.org/10.1016/0167-2738(81)90076-X	journal	August 1981
Wide-energy-range, high-resolution measurements of neutron pulse shapes of polyethylene moderators Ikeda, Susumu; Carpenter, John M. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 239, Issue 3 https://doi.org/10.1016/0168-9002(85)90033-6	journal	September 1985
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287 https://doi.org/10.1016/j.nimb.2012.05.037	journal	September 2012
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao Scripta Materialia, Vol. 108 https://doi.org/10.1016/j.scriptamat.2015.07.021	journal	November 2015
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
Origin of ferroelectricity in perovskite oxides Cohen, Ronald E. Nature, Vol. 358, Issue 6382 https://doi.org/10.1038/358136a0	journal	July 1992
Superconductivity in two-dimensional CoO2 layers Takada, Kazunori; Sakurai, Hiroya; Takayama-Muromachi, Eiji Nature, Vol. 422, Issue 6927 https://doi.org/10.1038/nature01450	journal	March 2003
Patterning of sodium ions and the control of electrons in sodium cobaltate Roger, M.; Morris, D. J. P.; Tennant, D. A. Nature, Vol. 445, Issue 7128 https://doi.org/10.1038/nature05531	journal	February 2007
P2-NaxVO2 system as electrodes for batteries and electron-correlated materials Guignard, Marie; Didier, Christophe; Darriet, Jacques Nature Materials, Vol. 12, Issue 1 https://doi.org/10.1038/nmat3478	journal	November 2012
Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na5/8MnO2 Li, Xin; Ma, Xiaohua; Su, Dong Nature Materials, Vol. 13, Issue 6 https://doi.org/10.1038/nmat3964	journal	May 2014
A picture of pseudogap phase related to charge fluxes Chen, Xi; Dong, Jiahao; Li, Xin npj Computational Materials, Vol. 6, Issue 1 https://doi.org/10.1038/s41524-020-00373-9	journal	July 2020
Superconductivity in an infinite-layer nickelate Li, Danfeng; Lee, Kyuho; Wang, Bai Yang Nature, Vol. 572, Issue 7771 https://doi.org/10.1038/s41586-019-1496-5	journal	August 2019
Thermal Expansion in Layered Na x MO2 Kobayashi, Wataru; Yanagita, Ayumu; Akaba, Takahiro Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-22279-9	journal	March 2018
High performance manganese-based layered oxide cathodes: overcoming the challenges of sodium ion batteries Ortiz-Vitoriano, Nagore; Drewett, Nicholas E.; Gonzalo, Elena Energy & Environmental Science, Vol. 10, Issue 5 https://doi.org/10.1039/C7EE00566K	journal	January 2017
A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory Calder, S.; An, K.; Boehler, R. Review of Scientific Instruments, Vol. 89, Issue 9 https://doi.org/10.1063/1.5033906	journal	September 2018
Role of structural instability in high-temperature superconductivity and its effect on isotope effect Bussmann-Holder, A.; Bishop, A. R.; Migliori, A. Ferroelectrics, Vol. 128, Issue 1 https://doi.org/10.1080/00150199208015075	journal	April 1992
Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes Toumar, Alexandra J.; Ong, Shyue Ping; Richards, William Davidson Physical Review Applied, Vol. 4, Issue 6 https://doi.org/10.1103/PhysRevApplied.4.064002	journal	December 2015
Magnetic interactions in α − Na Mn O 2 : Quantum spin-2 system on a spatially anisotropic two-dimensional triangular lattice Zorko, Andrej; El Shawish, Samir; Arčon, Denis Physical Review B, Vol. 77, Issue 2 https://doi.org/10.1103/PhysRevB.77.024412	journal	January 2008
Understanding the evolution of anomalous anharmonicity in Bi 2 Te 3 − x Se x Tian, Yao; Jia, Shuang; Cava, R. J. Physical Review B, Vol. 95, Issue 9 https://doi.org/10.1103/PhysRevB.95.094104	journal	March 2017
Thermal evolution of quasi-one-dimensional spin correlations within the anisotropic triangular lattice of α − NaMnO 2 Dally, Rebecca L.; Chisnell, Robin; Harriger, Leland Physical Review B, Vol. 98, Issue 14 https://doi.org/10.1103/PhysRevB.98.144444	journal	October 2018
One-Dimensional Magnetic Fluctuations in the Spin-2 Triangular Lattice α − NaMnO 2 Stock, C.; Chapon, L. C.; Adamopoulos, O. Physical Review Letters, Vol. 103, Issue 7 https://doi.org/10.1103/PhysRevLett.103.077202	journal	August 2009
Apical Charge Flux-Modulated In-Plane Transport Properties of Cuprate Superconductors Kim, Sooran; Chen, Xi; Fitzhugh, William Physical Review Letters, Vol. 121, Issue 15 https://doi.org/10.1103/PhysRevLett.121.157001	journal	October 2018
Phase Transitions in BaTi O 3 from First Principles Zhong, W.; Vanderbilt, David; Rabe, K. M. Physical Review Letters, Vol. 73, Issue 13 https://doi.org/10.1103/PhysRevLett.73.1861	journal	September 1994
Magnetoelastic Coupling and Symmetry Breaking in the Frustrated Antiferromagnet α − NaMnO 2 Giot, Maud; Chapon, Laurent C.; Androulakis, John Physical Review Letters, Vol. 99, Issue 24 https://doi.org/10.1103/PhysRevLett.99.247211	journal	December 2007
Octahedral tilting instabilities in inorganic halide perovskites Bechtel, Jonathon S.; Van der Ven, Anton Physical Review Materials, Vol. 2, Issue 2 https://doi.org/10.1103/PhysRevMaterials.2.025401	journal	February 2018
Na x CoO 2 phase stability and hierarchical orderings in the O3/P3 structure family Kaufman, Jonas L.; Van der Ven, Anton Physical Review Materials, Vol. 3, Issue 1 https://doi.org/10.1103/PhysRevMaterials.3.015402	journal	January 2019
Balancing orbital effects and on-site Coulomb repulsion through Na modulations in Na x V O 2 Chen, Xi; Tang, Hao; Wang, Yichao Physical Review Materials, Vol. 5, Issue 8 https://doi.org/10.1103/PhysRevMaterials.5.084402	journal	August 2021
Jahn-Teller Phenomena in Solids Goodenough, J. B. Annual Review of Materials Science, Vol. 28, Issue 1 https://doi.org/10.1146/annurev.matsci.28.1.1	journal	August 1998
Electrochemical Properties of Monoclinic NaNiO ₂ Vassilaras, Plousia; Ma, Xiaohua; Li, Xin Journal of The Electrochemical Society, Vol. 160, Issue 2 https://doi.org/10.1149/2.023302jes	journal	November 2012
Electrochemical Properties of Monoclinic NaMnO2 Ma, Xiaohua; Chen, Hailong; Ceder, Gerbrand Journal of The Electrochemical Society, Vol. 158, Issue 12 https://doi.org/10.1149/2.035112jes	journal	January 2011
Double-Focusing Thermal Triple-Axis Spectrometer at the NCNR Lynn, J. W.; Chen, Y.; Chang, S. Journal of Research of the National Institute of Standards and Technology, Vol. 117 https://doi.org/10.6028/jres.117.002	journal	January 2012

Linked Research (16)

Similar Records

Exemption of lattice collapse in Ni–MnO₂ birnessite regulated by the structural water mobility

Journal Article · 2021 · Journal of Materials Chemistry. A · OSTI ID:1828009

Shan, Xiaoqiang; Pidathala, Ranga Teja; Kim, SaeWon; +6 more

The nature of charge ordering in rare earth manganates and its strong dependence on the size of the A-site cations

Journal Article · 1997 · Journal of Solid State Chemistry · OSTI ID:569212

Kumar, N; Rao, C N.R.

Electrochemical investigations of novel electrode materials. Final report, August 1, 1977-December 31, 1983

Technical Report · 1984 · OSTI ID:6702541

Worrell, W L

Related Subjects

25 ENERGY STORAGE
Na1/2MnO2
anharmonic phonon coupling
charge flux fluctuations
charge flux functional
charge ordering
lattice and electron dynamics
magnetic ordering
sodium manganates
sodium ordering
strong magnetic fluctuations

CSD 2131770: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k8sy The current record is supplemented by this dataset	dataset	January 2022
CSD 2131772: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k8v0 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131773: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k8w1 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131774: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k8x2 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131775: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k8y3 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131776: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k8z4 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131777: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k906 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131778: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k917 The current record is supplemented by this dataset	dataset	January 2022
CSD 2131786: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k99h The current record is supplemented by this dataset	dataset	January 2022
CSD 2131787: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9bj The current record is supplemented by this dataset	dataset	January 2022
CSD 2131788: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9ck The current record is supplemented by this dataset	dataset	January 2022
CSD 2131791: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9gn The current record is supplemented by this dataset	dataset	January 2022
CSD 2131797: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9nv The current record is supplemented by this dataset	dataset	January 2022
CSD 2131798: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9pw The current record is supplemented by this dataset	dataset	January 2022
CSD 2131799: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9qx The current record is supplemented by this dataset	dataset	January 2022
CSD 2131800: Experimental Crystal Structure Determination Xi, Chen,; Yichao, Wang,; Yiping, Wang, https://doi.org/10.25505/fiz.icsd.cc29k9ry The current record is supplemented by this dataset	dataset	January 2022

Title: Dynamically preferred state with strong electronic fluctuations from electrochemical synthesis of sodium manganate

Citation Formats

References (34)

Linked Research (16)

Similar Records

Related Subjects