Impact of Sulfur-Containing Additives on Lithium-Ion Battery Performance: From Computational Predictions to Full-Cell Assessments
Source abstract
Abstract
Electrolyte additives are pivotal for stabilization of lithium-ion batteries, by suppressing capacity loss through creation of an engineered solid-electrolyte-interphase-layer (SEI-layer) at the negative electrode and thereby increasing lifetime. Here, we compare four different sulfur-containing 5-membered-ring molecules as SEI-formers: 1,3,2-dioxathiolane-2,2-dioxide (DTD), propane-1,3-sultone (PS), sulfopropionic acid anhydride (SPA), and prop-1-ene-1,3-sultone (PES). Density functional theory calculations and electrochemical measurements both confirm appropriate reduction potentials. For a connection of the protective properties of the SEIs formed to the chemical structure of the additives, the decomposition paths are computed and compared with spectroscopic data for the negative electrode surface. The performance of full-cells cycled using a commercial electrolyte and the different additives reveals the formation of organic dianions to play a crucial beneficial role, more so for DTD and SPA than for PS and PES.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advanced Battery Materials and Technologies · Advanced battery technologies research · Advancements in Battery Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland
Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden
ALISTORE-ERI European Research Institute, CNRS FR 3104, Hub de l’Energie, Rue Baudelocque, 80039 Amiens, France
Funding
Vetenskapsr?det · Energimyndigheten · Narodowe Centrum Nauki · Sixth Framework Programme · Materials Science Area of Advance, Chalmers Tekniska H?gskola · Transport Area of Advance, Chalmers Tekniska H?gskola · Energy Area of Advance, Chalmers Tekniska H?gskola
References (48)
Show source-provided references
1. The Global Market for Lithium Ion Batteries for Vehicles Is Expected to Total $221 Billion from 2015 to 2024. https://www.navigantresearch.com/newsroom/the-global-market-for-lithium-ion-batteries-for-vehicles-is-expected-to-total-221-billion-from-2015-to-2024 (accessed Dec 14, 2017).
2. 10.1038/nchem.208510.1038/nchem.2085 ↗
3. 10.1126/science.125329210.1126/science.1253292 ↗
4. 10.1149/1.212885910.1149/1.2128859 ↗
5. Wilken S. · 2013 · 3910.1002/9781118615515.ch3 ↗
6. 10.1016/j.jpowsour.2006.07.07410.1016/j.jpowsour.2006.07.074 ↗
7. 10.1016/S0013-4686(01)00858-110.1016/S0013-4686(01)00858-1 ↗
8. 10.1016/j.elecom.2003.10.02410.1016/j.elecom.2003.10.024 ↗
9. 10.1149/1.178579510.1149/1.1785795 ↗
10. 10.1149/1.203451710.1149/1.2034517 ↗
11. 10.1016/S0378-7753(03)00292-110.1016/S0378-7753(03)00292-1 ↗
12. 10.1021/jp800336n10.1021/jp800336n ↗
13. 10.1016/j.jpowsour.2008.03.03710.1016/j.jpowsour.2008.03.037 ↗
14. 10.1016/j.jpowsour.2006.05.04910.1016/j.jpowsour.2006.05.049 ↗
15. 10.1039/c3ta12580g10.1039/c3ta12580g ↗
16. 10.1016/j.jpowsour.2006.09.04610.1016/j.jpowsour.2006.09.046 ↗
17. 10.1016/j.jpowsour.2007.06.14110.1016/j.jpowsour.2007.06.141 ↗
18. 10.1016/j.jpowsour.2007.06.14010.1016/j.jpowsour.2007.06.140 ↗
19. 10.1149/1.175685510.1149/1.1756855 ↗
20. 10.1016/j.elecom.2009.10.01510.1016/j.elecom.2009.10.015 ↗
21. 10.1149/1.302967410.1149/1.3029674 ↗
22. 10.1016/j.jpowsour.2011.06.09510.1016/j.jpowsour.2011.06.095 ↗
23. 10.1039/c2jm34191c10.1039/c2jm34191c ↗
24. 10.1149/2.028202jes10.1149/2.028202jes ↗
25. 10.1016/j.jpowsour.2005.10.03310.1016/j.jpowsour.2005.10.033 ↗
26. 10.1016/j.electacta.2014.01.02310.1016/j.electacta.2014.01.023 ↗
27. 10.1016/j.jpowsour.2009.02.07510.1016/j.jpowsour.2009.02.075 ↗
28. 10.1149/1.217046210.1149/1.2170462 ↗
29. 10.1016/j.jpowsour.2008.09.08810.1016/j.jpowsour.2008.09.088 ↗
30. 10.1016/j.elecom.2012.02.01610.1016/j.elecom.2012.02.016 ↗
31. 10.1016/j.electacta.2013.04.14210.1016/j.electacta.2013.04.142 ↗
32. 10.1021/jp308199610.1021/jp3081996 ↗
33. 10.1039/c2ra20200j10.1039/c2ra20200j ↗
34. 10.1016/j.jpowsour.2015.08.06010.1016/j.jpowsour.2015.08.060 ↗
35. 10.1021/acs.jpcc.6b0752510.1021/acs.jpcc.6b07525 ↗
36. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, revision E.01; Gaussian, Inc.: Wallingford, CT, 2009.
37. 10.1007/s00894-016-3180-010.1007/s00894-016-3180-0 ↗
38. 10.1063/1.44948610.1063/1.449486 ↗
39. 10.1016/j.jpowsour.2017.01.13110.1016/j.jpowsour.2017.01.131 ↗
40. 10.1016/j.jpowsour.2013.03.02410.1016/j.jpowsour.2013.03.024 ↗
41. 10.1021/jp509731y10.1021/jp509731y ↗
42. 10.1007/s11581-013-1036-510.1007/s11581-013-1036-5 ↗
43. 10.1088/0031-8949/1/5-6/02010.1088/0031-8949/1/5-6/020 ↗
44. 10.1016/S0378-7753(01)00738-810.1016/S0378-7753(01)00738-8 ↗
45. 10.1016/j.jpowsour.2015.10.10310.1016/j.jpowsour.2015.10.103 ↗
46. 10.1149/1.187267310.1149/1.1872673 ↗
47. 10.1016/j.cplett.2007.07.05910.1016/j.cplett.2007.07.059 ↗
48. Weidner J. · 2009