Hostname: page-component-cd9895bd7-fscjk Total loading time: 0 Render date: 2024-12-29T13:42:12.722Z Has data issue: false hasContentIssue false
  • English
  • Français

A comprehensive finite element model for lithium–oxygen batteries

Published online by Cambridge University Press:  22 September 2016

Martin W. Ayers  and
Hsiao-Ying Shadow Huang
Martin W. Ayers
Affiliation:
Mechanical and Aerospace Engineering Department, North Carolina State University, Raleigh, NC 27695, USA
Hsiao-Ying Shadow Huang*
Affiliation:
Mechanical and Aerospace Engineering Department, North Carolina State University, Raleigh, NC 27695, USA
*
a)Address all correspondence to this author. e-mail: [email protected]
Get access

Abstract

Among the different energy storage technologies under study, lithium–oxygen batteries are one of the most promising due to their great gravimetric energies and capacities 6–10 times greater than other technologies such as conventional lithium-ion cells. The current study provides a comprehensive understanding of how the anodic (e.g., dendrites) and cathodic designs (e.g., porosity of the carbon cathode and mass fraction of oxygen) affect the discharge characteristics of lithium–oxygen cells. When comparing all changes in dendrite surface, porosity and oxygen restriction, it is concluded that although the changes in porosity and oxygen decrease the performance of the cells, the dendrites led to the greatest decrease in performance of the battery when examining the capacity of the cell. This comprehensive understanding will aid in the design of a cyclable and commercially viable lithium–oxygen battery that could be used for a wide range of energy storage applications.

Keywords

lithium–airfinite element methoddendriteporosityO2 mass fractionO2 flow rate
Type
Invited Paper
Information
Journal of Materials Research , Volume 31 , Issue 18: Focus Section: Reinventing Boron Chemistry for the 21st Century , 28 September 2016 , pp. 2728 - 2735
Check for updates
Copyright
Copyright © Materials Research Society 2016 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

Bruce, P.G., Freunberger, S.A., Hardwick, L.J., and Tarascon, J.M.: Li–O-2 and Li–S batteries with high energy storage. Nat. Mater. 11, 19 (2012).Google Scholar
Goodenough, J.B. and Kim, Y.: Challenges for rechargeable Li batteries. Chem. Mater. 22, 587 (2010).Google Scholar
Yuan, L-X., Wang, Z-H., Zhang, W-X., Hu, X-L., Chen, J-T., Huang, Y-H., and Goodenough, J.B.: Development and challenges of LiFePO(4) cathode material for lithium-ion batteries. Energy Environ. Sci. 4, 269 (2011).Google Scholar
Choi, N.S., Chen, Z.H., Freunberger, S.A., Ji, X.L., Sun, Y.K., Amine, K., Yushin, G., Nazar, L.F., Cho, J., and Bruce, P.G.: Challenges facing lithium batteries and electrical double-layer capacitors. Angew. Chem., Int. Ed. 51, 9994 (2012).Google Scholar
Chiang, Y-M.: Building a better battery. Science 330, 1485 (2010).Google Scholar
Padhi, A.K., Nanjundaswamy, K.S., and Goodenough, J.B.: Phospho-olivines as positive-electrode materials for rechargeable lithium batteries. J. Electrochem. Soc. 144, 1188 (1997).Google Scholar
Lu, Y.C., Gallant, B.M., Kwabi, D.G., Harding, J.R., Mitchell, R.R., Whittingham, M.S., and Shao-Horn, Y.: Lithium–oxygen batteries: Bridging mechanistic understanding and battery performance. Energy Environ. Sci. 6, 750 (2013).Google Scholar
Gallant, B.M., Mitchell, R.R., Kwabi, D.G., Zhou, J.G., Zuin, L., Thompson, C.V., and Shao-Horn, Y.: Chemical and morphological changes of Li–O-2 battery electrodes upon cycling. J. Phys. Chem. C 116, 20800 (2012).Google Scholar
Lu, Y.C. and Shao-Horn, Y.: Probing the reaction kinetics of the charge reactions of nonaqueous Li–O-2 batteries. J. Phys. Chem. Lett. 4, 93 (2013).Google Scholar
Yao, K.P.C., Kwabi, D.G., Quinlan, R.A., Mansour, A.N., Grimaud, A., Lee, Y.L., Lu, Y.C., and Shao-Horn, Y.: Thermal stability of Li2O2 and Li2O for Li–air batteries: In situ XRD and XPS studies. J. Electrochem. Soc. 160, A824 (2013).Google Scholar
Christensen, J., Albertus, P., Sanchez-Carrera, R.S., Lohmann, T., Kozinsky, B., Liedtke, R., Ahmed, J., and Kojic, A.: A critical review of Li/air batteries. J. Electrochem. Soc. 159, R1 (2012).Google Scholar
Hojberg, J., Knudsen, K.B., Hjelm, J., and Vegge, T.: Reactions and SEI formation during charging of Li–O-2 cells. ECS Electrochem. Lett. 4, A63 (2015).Google Scholar
Kang, S.Y., Mo, Y.F., Ong, S.P., and Ceder, G.: A facile mechanism for recharging Li2O2 in Li–O-2 batteries. Chem. Mater. 25, 3328 (2013).Google Scholar
Ding, F., Xu, W., Graff, G.L., Zhang, J., Sushko, M.L., Chen, X.L., Shao, Y.Y., Engelhard, M.H., Nie, Z.M., Xiao, J., Liu, X.J., Sushko, P.V., Liu, J., and Zhang, J.G.: Dendrite-free lithium deposition via self-healing electrostatic shield mechanism. J. Am. Chem. Soc. 135, 4450 (2013).Google Scholar
Li, X.L.: A modeling study of the pore size evolution in lithium–oxygen battery electrodes. J. Electrochem. Soc. 162, A1636 (2015).Google Scholar
Andersen, C.P., Hu, H., Qiu, G., Kalra, V., and Sun, Y.: Pore-scale transport resolved model incorporating cathode microstructure and peroxide growth in lithium–air batteries. J. Electrochem. Soc. 162, A1135 (2015).Google Scholar
Garcia-Araez, N. and Novak, P.: Critical aspects in the development of lithium–air batteries. J. Solid State Electrochem. 17, 1793 (2013).Google Scholar
Ryan, E.M., Ferris, K.F., and Tartakovsky, A.M.: Computational modeling of transport limitations in Li–air batteries. J. Electrochem. Soc. 45, 124 (2013).Google Scholar
Monroe, C. and Newman, J.: Dendrite growth in lithium/polymer systems. J. Electrochem. Soc. 150, A1377 (2003).Google Scholar
Shui, J., Okasinski, J., and Chen, C.: In Operando spatiotemporal study of Li2O2 grain growth and its distribution inside operating Li–O2 batteries. ChemSusChem 7, 543 (2014).CrossRefGoogle Scholar
Tan, J. and Ryan, E.M.: Numerical modeling of dendrite growth in a lithium air battery system. J. Electrochem. Soc. 53, 35–43 (2013).Google Scholar
Read, J.: Characterization of the lithium/oxygen organic electrolyte battery. J. Electrochem. Soc. 149, A1190 (2002).Google Scholar
Li, X.L. and Faghri, A.: Optimization of the cathode structure of lithium–air batteries based on a two-dimensional, transient, non-isothermal model. J. Electrochem. Soc. 159, A1747 (2012).Google Scholar
Ansys, Inc.: ANSYS Fluent Fuel Cell Modules Manual, 15th ed. (ANSYS, Inc., Canonsburg, 2013).Google Scholar
Kulikovsky, A.A., Divisek, J., and Kornyshev, A.A.: Modeling the cathode compartment of polymer electrolyte fuel cells: Dead and active reaction zones. J. Electrochem. Soc. 146, 3981 (1999).Google Scholar
Mazumder, S. and Cole, J.V.: Rigorous 3-d mathematical modeling of PEM fuel cells—II. Model predictions with liquid water transport. J. Electrochem. Soc. 150, A1510 (2003).Google Scholar
Um, S., Wang, C.Y., and Chen, K.S.: Computational fluid dynamics modeling of proton exchange membrane fuel cells. J. Electrochem. Soc. 147, 4485 (2000).Google Scholar
Tran, C., Yang, X.Q., and Qu, D.Y.: Investigation of the gas-diffusion-electrode used as lithium/air cathode in non-aqueous electrolyte and the importance of carbon material porosity. J. Power Sources 195, 2057 (2010).Google Scholar
Xia, C., Waletzko, M., Chen, L.M., Peppler, K., Klar, P.J., and Janek, J.: Evolution of Li2O2 growth and its effect on kinetics of Li-O-2 batteries. ACS Appl. Mater. Interfaces 6, 12083 (2014).CrossRefGoogle Scholar
Orsini, F., Du Pasquier, A., Beaudoin, B., Tarascon, J.M., Trentin, M., Langenhuizen, N., De Beer, E., and Notten, P.: In situ scanning electron microscopy (SEM) observation of interfaces within plastic lithium batteries. J. Power Sources 76, 19 (1998).Google Scholar
Ayers, M.W.: Lithium–oxygen batteries—A comprehensive finite element model. In Mechanical and Aerospace Engineering, North Carolina State University: Raleigh, 2015; p. 137.Google Scholar
Radin, M.D. and Siegel, D.J.: Charge transport in lithium peroxide: Relevance for rechargeable metal–air batteries. Energy Environ. Sci. 6, 2370 (2013).Google Scholar