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The Lithium Battery Explorer Part 1 - Introduction to Lithium-ion Batteries

Part 1 of the tutorial on the Lithium Battery Explorer provides an overview of Li-ion battery technology and the properties that are relevant to battery researchers. Interested viewers should refer to the following publications for more details: 1) Review: G. Ceder, G. Hautier, A. Jain, S. P. Ong. Recharging lithium battery research with first-principles methods. MRS Bulletin, 2011, 36, 185--191. 2) Computational Electrode Assessment: G. Hautier, A. Jain, S. P. Ong, B. Kang, C. Moore, R. Doe, and G. Ceder. Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations. Chemistry of Materials, 2011, 23(15), 3495-3508. 3) Predicting Battery Safety: S. P. Ong, A. Jain, G. Hautier, B. Kang, & G. Ceder. Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations. Electrochemistry Communications, 2010, 12(3), 427--430.

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THE LITHIUM BATTERY
EXPLORER
A           Production
What are Li-ion batteries?

¨    A type of rechargeable
      battery

¨    One of the most popular types
      for portable consumer
      electronics

¨    One of the highest energy
      densities

¨    Increasingly being considered
      for large scale applications
      such as hybrid electric vehicles
How do lithium-ion batteries work?


       Cathode




                               Anode
                 Electrolyte
During charging

                     V

        e-
        Li+                     Li
       Cathode




                               Anode
                 Electrolyte
During discharge


        Li                      e-
                                Li+
       Cathode




                               Anode
                 Electrolyte
What are the most relevant properties for a
Li-ion battery electrode?

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The Lithium Battery Explorer Part 1 - Introduction to Lithium-ion Batteries

  • 2. What are Li-ion batteries? ¨  A type of rechargeable battery ¨  One of the most popular types for portable consumer electronics ¨  One of the highest energy densities ¨  Increasingly being considered for large scale applications such as hybrid electric vehicles
  • 3. How do lithium-ion batteries work? Cathode Anode Electrolyte
  • 4. During charging V e- Li+ Li Cathode Anode Electrolyte
  • 5. During discharge Li e- Li+ Cathode Anode Electrolyte
  • 6. What are the most relevant properties for a Li-ion battery electrode?
  • 7. Voltage Voltage is a measure of the difference in free energy of Li Cathode between the anode Anode and cathode. anode cathode µ Li − µ Li V= NFe Electrolyte stability ~ 5V
  • 8. Capacity Li Li Capacity is a measure Li Li of how many Li you Cathode Anode Li Li can pack in an Li Li electrode per unit weight or volume of Li Li material. Li Li Electrolyte
  • 9. Other properties of interest Energy density Volume Critical oxygen and Specific change upon Stability chemical energy delithiation potential How much energy Correlated with is in the material safety of a per unit volume / material. weight? Large volume Unstable materials changes may lead may be difficult or to structural impossible to instability. synthesize Cathodes that evolve oxygen at Given by voltage x high oxygen capacity. chemical potentials are potentially unsafe.
  • 10. Types of Electrodes Intercalation Conversion electrodes electrodes Most common Less common Electrode undergoes a chemical Electrode is essentially a host reaction where its structure is created structure that can contain Li and destroyed during operation Examples: LiCoO2, LiFePO4, graphite Examples: FeF3, Li2O2
  • 11. What is the Lithium Battery Explorer? Customized search tool for Li-ion electrode materials •  Information about existing materials •  Discover new materials Search using relevant battery properties •  Voltage •  Capacity •  Energy density •  Specific energy •  and many others … Display information useful to battery researchers •  Voltage profile •  Safety (O2 evolution) •  Li+ diffusivity using empirical bond valence potentials
  • 12. Credits Video by Shyue Ping Ong References Review G. Ceder, G. Hautier, A. Jain, S. P. Ong. Recharging lithium battery research with first-principles methods. MRS Bulletin, 2011, 36, 185– 191. Computational G. Hautier, A. Jain, S. P. Ong, B. Kang, C. Moore, R. Doe, and G. Electrode Ceder. Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Assessment Based on High-Throughput ab Initio Calculations. Chemistry of Materials, 2011, 23(15), 3495-3508. Predicting S. P. Ong, A. Jain, G. Hautier, B. Kang, & G. Ceder. Thermal stabilities Battery Safety of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations. Electrochemistry Communications, 2010, 12(3), 427–430.