Characterization of Energy Storage Systems Using In Situ and Ex Situ Nuclear Magnetic Resonance Spectroscopy
EMSL Project ID
44591
Abstract
Fundamental research in stationary battery has been limited and an in-situ NMR method to probe transient electrochemical reactions has yet to be developed. We propose to develop unique in situ NMR capabilities to study the detailed redox chemistry and the performance degradation mechanisms in the electrolytes, membrane and electrodes of stationary batteries with particular emphasize on flow-battery, and sodium-metal halide (Na-MH) battery. Advanced NMR spectroscopy with a wide range of magnetic field from 7.05 to ultra-high field of 21.1 Tesla, and NMR computational and modeling capabilities will also be employed to understand the complex chemistry. This combined investigation will yield detailed molecular information regarding ion transport mechanisms and the chemical status of the ions both inside the electrodes and at the electrode-electrolytes interface. This is especially important for the development of new stationary batteries with improved energy and power densities as well as improved long-term stability for electrochemical energy storage systems. While our proposal focus is on stationary battery, the technologies established will also be applied for fundamental research on Li-ion and Li-Air batteries. The molecular information obtained from this project will be used directly by our battery collaborators for the development of new stationary batteries, including lithium-ion and lithium-Air batteries, with improved energy and power densities as well as improved long-term stability. To accomplish these research objectives, EMSL's unique resources in NMR, computational modeling, XPS, and TEM are critically needed.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2011-10-01
End Date
2014-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Cao R, K Mushra, X Li, J Qian, MH Engelhard, ME Bowden, KS Han, KT Mueller, WA Henderson, and J Zhang. 2016. "Enabling room temperature sodium metal batteries." Nano Energy 30:825-830. doi:10.1016/j.nanoen.2016.09.013
Cao R, W Xu, D Lu, J Xiao, and J Zhang. 2015. "Anodes for Rechargeable Lithium-Sulfur Batteries." Advanced Energy Materials 5(16):Article No. 1402273. doi:10. 1002/aenm. 201402273
Deng X, MY Hu, X Wei, W Wang, Z Chen, J Liu, and JZ Hu. 2015. "Natural Abundance 17O NMR and Computational Modeling Studies of Lithium Based Liquid Electrolytes." Journal of the American Chemical Society 285(2015):146-155. doi:10.1016/j.jpowsour.2015.03.091
Huang Q, ED Walter, L Cosimbescu, D Choi, and JP Lemmon. 2016. "In situ electrochemical-electron spin resonance investigations of multi-electron redox reaction for organic radical cathodes." Journal of Power Sources 306:812-816. doi:10. 1016/j. jpowsour. 2015. 11. 080
Hu JZ, Z Zhao, MY Hu, J Feng, X Deng, X Chen, W Xu, J Liu, and J Zhang. 2016. "In situ 7Li and 133Cs Nuclear Magnetic Resonance Investigations on the Role of Cs+ Additive in Lithium-Metal Deposition Process." Journal of Power Sources 304:51-59. doi:10.1016/j.jpowsour.2015.10.067
Kerisit SN, B Schwenzer, and M Vijayakumar. 2014. "Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance." Journal of Physical Chemistry Letters 5(13):2330-2334. doi:10.1021/jz500900t
Li G, X Lu, JY Kim, MH Engelhard, JP Lemmon, and VL Sprenkle. 2014. "The Role of FeS in Initial Activation and Performance Degradation of Na-NiCl2 (ZEBRA) Batteries ." PNNL-SA-101665, Pacific Northwest National Laboratory, Richland, WA. [Unpublished]
Liu J, J Zhang, Z Yang, JP Lemmon, CH Imhoff, GL Graff, L Li, JZ Hu, CM Wang, J Xiao, G Xia, VV Viswanathan, S Baskaran, VL Sprenkle, Y Shao, and B Schwenzer. 2012. "Materials Science and Materials Chemistry for Large Scale Electrochemical Energy Storage - From Transportation to Electrical Grid." Advanced Functional Materials. doi:10.1002/adfm.201200690
Shao Y, NN Rajput, JZ Hu, MY Hu, TL Liu, Z Wei, M Gu, X Deng, S Xu, KS Han, J Wang, Z Nie, G Li, K Zavadil, J Xiao, CM Wang, WA Henderson, J Zhang, Y Wang, KT Mueller, KA Persson, and J Liu. 2014. "Nanocomposite polymer electrolyte for rechargeable magnesium batteries." Nano Energy 2015(12):750-759. doi:10. 1016/j. nanoen. 2014. 12. 028
Tang W, Y Liu, C Peng, MY Hu, X Deng, M Lin, JZ Hu, and KP Loh. 2015. "Probing Lithium Germanide Phase Evolution and Structural Change in a Germanium-in-Carbon Nanotube Energy Storage System." Journal of the American Chemical Society 137(7):2600-7. doi:10.1021/ja5116259
Vijayakumar M, BM Sivakumar, P Nachimuthu, B Schwenzer, S Kim, Z Yang, J Liu, GL Graff, S Thevuthasan, and JZ Hu. 2011. "Spectroscopic Investigations of the fouling process on Nafion membranes in vanadium redox flow Batteries." Journal of Membrane Science 366(1-2):325-334. doi:10.1016/j.memsci.2010.10.018
Vijayakumar M, B Schwenzer, S Kim, Z Yang, S Thevuthasan, J Liu, GL Graff, and JZ Hu. 2011. "Investigation of Local Environments in Nafion-SiO2 composite membranes used in Vanadium Redox Flow Battery." PNNL-SA-80357, Pacific Northwest National Laboratory, Richland, WA.
Vijayakumar M, B Schwenzer, V Shutthanandan, JZ Hu, J Liu, and IA Aksay. 2014. "Elucidating graphene - Ionic Liquid interfacial region: a combined experimental and computational study." Nano Energy 3:152-158. doi:10.1016/j.nanoen.2012.09.014
Vijayakumar M, L Li, GL Graff, J Liu, H Zhang, Z Yang, and JZ Hu. 2011. "Towards understanding the poor thermal stability of V5+ electrolyte solution in Vanadium Redox Flow Batteries." Journal of Power Sources 196(7):3669-3672. doi:10.1016/j.jpowsour.2010.11.126
Vijayakumar M, L Li, Z Nie, Z Yang, and JZ Hu. 2012. "Structure and Stability of Hexa-Aqua V(III) Cations in Vanadium Redox Flow Battery Electrolytes." Physical Chemistry Chemical Physics. PCCP 14(29):10233-10242. doi:10.1039/c2cp40707h
Vijayakumar M, N Govind, ED Walter, SD Burton, AK Shukla, A Devaraj, J Xiao, J Liu, CM Wang, AM Karim, and S Thevuthasan. 2014. "Molecular Structure and Stability of Dissolved Lithium Polysulfide Species." Physical Chemistry Chemical Physics. PCCP 16(22):10923-10932. doi:10.1039/c4cp00889H
Vijayakumar M, SD Burton, C Huang, L Li, Z Yang, GL Graff, J Liu, JZ Hu, and M Skyllas-Kazacos. 2010. "Nuclear Magnetic Resonance Studies on Vanadium(IV) Electrolyte Solutions for Vanadium Redox Flow Battery ." Journal of Power Sources 195(22 SP ISS):7709-7717.
Vijayakumar M, SN Kerisit, KM Rosso, SD Burton, JA Sears, Jr, Z Yang, GL Graff, J Liu, and JZ Hu. 2011. "Lithium Diffusion in Li4Ti5O12 at High Temperatures." Journal of Power Sources 196(4):2211-2220.
Vijayakumar M, Z Nie, ED Walter, JZ Hu, J Liu, VL Sprenkle, and W Wang. 2015. "Understanding Aqueous Electrolyte Stability through Combined Computational and Magnetic Resonance Spectroscopy: A Case Study on Vanadium Redox Flow Battery Electrolytes." ChemPlusChem 80(2):428-437. doi:10.1002/cplu.201402139
Wan C, MY Hu, O Borodin, J Qian, Z Qin, J Zhang, and JZ Hu. 2015. "Natural Abundance 17O, 6Li NMR and Molecular Modeling Studies of the Solvation Structures of LiFSI/DME Liquid Electrolytes." Journal of Power Sources 307:2231-243. doi:10.1016/j.jpowsour.2015.12.120
Wei X, L Cosimbescu, W Xu, JZ Hu, M Vijayakumar, J Feng, MY Hu, X Deng, J Xiao, J Liu, VL Sprenkle, and W Wang. 2015. "Towards High-Performance Nonaqueous Redox Flow Electrolyte through Ionic Modification of Active Species." Advanced Energy Materials 5(1):Article No. 1400678. doi:10.1002/aenm.201400678
Xiao J, JZ Hu, D Wang, D Hu, W Xu, GL Graff, Z Nie, J Liu, and J Zhang. 2011. "Investigation of the Rechargeability of Li-O2 Batteries in Non-aqueous Electrolyte." Journal of Power Sources 196(13):5674-5678.
Xiao J, JZ Hu, H Chen, M Vijayakumar, J Zheng, H Pan, ED Walter, MY Hu, X Deng, J Feng, BY Liaw, M Gu, Z Deng, D Lu, S Xu, CM Wang, and J Liu. 2015. "Following the Transient Reactions in Lithium-Sulfur Batteries Using In an In Situ Nuclear Magnetic Resonance Technique." Nano Letters 15(5):3309-3316. doi:10. 1021/acs. nanolett. 5b00521
Xu W, JZ Hu, MH Engelhard, SA Towne, JS Hardy, J Xiao, J Feng, MY Hu, J Zhang, F Ding, ME Gross, and J Zhang. 2012. "The Stability of Organic Solvents and Carbon Electrode in Nonaqueous Li-O2 Batteries." Journal of Power Sources 215:240-247. doi:10.1016/j.jpowsour.2012.05.021