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Amine – ANL V.D.5 Advanced Electrolyte and Electrolyte Additives (ANL) SEI. The XPS results confirm that the additive does decompose and participates in the SEI formation process on the anode surface as predicted by theory Figure V - 152: Illustration of the dissociation of the ally group from a 1,3,5 triallyl-[1,3,5]triazinane-2,4,6-trione molecule. The 1,3,5-triallyl-[1,3,5]triazinane-2,4,6-trione was tested as an SEI additive for Li ion batteries. With 0.2 w% additive, the cell showed dramatic improvements in capacity retention as shown in Figure V - 153. X-ray photoelectron spectroscopy (XPS) was used to analyze the Conclusions and Future Directions Stabilization of the interfaces of lithium ion batteries is needed to prevent detrimental decomposition of the electrodes. We have screened over 300 candidate materials for reduction potentials and selected decomposition pathways. The results of these calculations have been used to help find new additives described in this report and to understand the mechanism by which the protective film is formed. We will continue to screen further candidates based on experimental feedback. In future work we will also be using density functional calculations to help understand the properties of shuttle molecules for overcharge protection that are being studied experimentally and the using this information to help design new shuttle molecules. 2 Capacity (mAh) 1 Control electrolyte With 0.2 w% additive 12 With 0.5 w% additive 12 With 1.0 w% additive 12 0 0 50 100 150 200 Cycle number Figure V - 153: Capacity retention of MCMB/NCM cells cycled between 3 and 4.0V at 55 ◦C in electrolyte of 1.2M LiPF6 EC/EMC 3/7 with no and various amount of the TTT additive. Publications/Presentations 4. G. Ferguson, P. Redfern, L. Cheng, D. Bedrov, G. Smith and L. A. Curtiss, “A Theoretical Study of the 1. Y. Qin, Z. Chen, J. Liu and K. Amine, Lithium Reaction of Reduced Ethylene Carbonates in Lithium- Tetrafluoro Oxalato Phosphate as Electrolyte Additive Ion Batteries”, to be submitted. for Lithium-Ion Cells, Electrochem. Solid-State Lett., 5. 2011 DOE Annual Peer Review Meeting Presentation 13(2) A11-A14, (2010) 2. Patent: ANL-IN-10-039 "Non-aqueous electrolyte for lithium-ion batteries" 3. Y. K. Sun, Z. Chen, Z. Zhang, P. Redfern, L. A. Curtiss, K. Amine, “Mechanism and Mitigation of . Capacity Fade of Li1.1[Mn1/3Ni1/3Co1/3]0.9O2 Based Lithium-Ion Batteries,”, Journal of Materials Chemistry, 21, 17754, (2011) FY 2011 Annual Progress Report 611 Energy Storage R&D
V.D.6 Inexpensive, Nonfluorinated (or Partially Fluorinated) Anions for Lithium Salts and Ionic Liquids for Lithium Battery Electrolytes (NCSU) Wesley Henderson North Carolina State University Ionic Liquids & Electrolytes for Energy Technologies (ILEET) Laboratory Department of Chemical & Biomolecular Engineering 911 Partners Way, Campus Box 7905 Raleigh, NC 27695 Phone: (919) 513-2917; Fax: (919) 515-3465 E-mail: wesley_henderson@ncsu.edu Collaborators: Michel Armand, Peter Fedkiw (co-PIs) Start Date: April 1, 2009 Projected End Date: March 31, 2012 Objectives - · Develop new anions as replacements for PF 6 or as additives for electrolytes · Establish characterization methods for electrolyte solvent-lithium salt and ionic liquid-lithium salt mixtures to aid in understanding structure-property relationships and optimization of cell performance Technical Barriers This project addresses the following technical barriers from the VT Research & Development plan regarding electrolytes: · Improved cell performance, calendar life and abuse tolerance · Improved low temperature performance · Reduced cost Technical Targets · Obtain electrolyte salt materials that can operate in the potential range (4-5 V vs. Li/Li + ) enabling the use of high-voltage cathode materials · Develop electrolyte materials which enable cell operation in the temperature range -30 to 55°C or higher · Improve cycle life and safety Accomplishments · Synthesized several new anions and dianions which contain nitrile functional groups and/or are partially fluorinated · Characterized the phase behavior LiFSI mixtures with nitrile solvents · Characterized the phase behavior and solvate structures of LiDFOB mixtures with nitrile and dinitrile solvents · Ionic liquids (ILs) have been synthesized with the DFOB - anion―these are found to effectively inhibit the corrosion of the Al current collector · Concentrated IL-LiTFSI-solvent electrolytes with high lithium salt and low solvent content have been demonstrated to have excellent electrolyte properties Introduction Electrolyte materials are a key component in terms of both the cost and performance (power, safety, lifetime) of a battery. The properties of salts (either lithium salts or ionic liquids) containing new anions are being explored to determine their utility for lithium battery applications. Approach To explore new anions for alternative salts to LiPF 6 , ionic liquids and electrolyte additives, two classes of nonfluorinated (or partially fluorinated) anions were synthesized and characterized: 1) chelated and non-chelated organoborate anions (related to bis(oxalate) borate or BOB - ), and 2) Hückle-type anions in which the charge is stabilized on a 5-member azole ring and noncyclic cyanocarbanions. The physical properties of these new anions, incorporated in both lithium salts and ionic liquids, are being examined including the thermal phase behavior (phase diagrams); thermal, chemical and electrochemical stability; transport properties; interfacial properties; molecular interactions and cell performance. These salts will be compared with current salts of interest such as LiBF 4 , LiPF 6 and LiBOB and ionic liquids based upon the bis(trifluoromethanesulfonyl)imide anion. Energy Storage R&D 612 FY 2011 Annual Progress Report
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V. FOCUSED FUNDAMENTAL RESEARCH Int
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V.A Introduction Duong - DOE, Srini
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V.B Cathode Development V.B.1 First
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V.B.1 First Principles Calculations
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V.B.1 First Principles Calculations
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V.B.2 Cell Analysis, High-energy De
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V.B.3 Olivines and Substituted Laye
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V.B.4 Stabilized Spinels and Nano O
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V.B.4 Stabilized Spinels and Nano O
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V.B.5 The Synthesis and Characteriz
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V.B.5 Synthesis & Characterization
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V.B.6 Cell Analysis-Interfacial Pro
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V.B.6 Cell Analysis-Interfacial Pro
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V.B.7 Role of Surface Chemistry on
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V.B.8 Characterization of New Catho
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V.B.8 Characterization of New Catho
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V.B.9 Layered Cathode Materials (AN
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V.B.10 Development of High Energy C
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V.B.10 Development of High Energy C
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V.B.11 Crystal Studies on High-ener
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V.B.12 Developing Materials for Lit
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V.B.13 Studies on the Local SOC and
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V.B.13 Studies on the Local SOC and
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V.B.14 New Cathode Projects (LBNL)
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V.C.1 Nanoscale Composite Hetero-st
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V.C.1 Nanoscale Composite Hetero-st
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V.C.2 Interfacial Processes - Diagn
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V.C.3 Search for New Anode Material
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V.C.4 Nano-structured Materials as
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V.C.4 Nano-structured Materials as
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V.C.5 Development of High Capacity
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V.C.5 Development of High Capacity
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V.C.6 Advanced Binder for Electrode
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V.C.6 Advanced Binder for Electrode
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Page 117 and 118: V.C.12 Silicon Clathrates for Anode
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Page 121 and 122: V.C.13 Wiring Up Silicon Nanopartic
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Page 137 and 138: V.D.3 Molecular Dynamics Simulation
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V.F.1 Energy Frontier Research Cent
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V.F.2 Novel In Situ Diagnostics Too
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V.F.2 Novel In Situ Diagnostics Too
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V.G Integrated Lab-Industry Researc
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