Lithium Diffusion in Amorphous Li_xSi (x ≤ 0.4) Materials

Abstract:

Lithium-silicon compounds are promising materials as negative electrodes in Li-ion-batteries. The diffusion of Li in electrode materials is important for charging/discharging rates, maximum specific capacity and possible side reactions. In order to further the development of novel negative electrode materials for lithium-ion batteries, understanding the basic principles of atomic transport is of high importance. Thin Li_xSi films were investigated, which were produced by reactive ion-beam co-sputtering of segmented elemental Li and Si targets. Li tracer self-diffusion experiments were done on Li_xSi|⁶Li_xSi heterostructures and ⁶Li and ⁷Li isotopes depth profiles were analysed by secondary ion mass spectrometry before and after annealing. Diffusivities were extracted by comparing the experimental depth profiles to analytical solutions of the diffusion equation. The diffusivities for low Li concentrations x < 0.1 in Li_xSi follow the Arrhenius law between 140 and 325 °C with an activation energy of 1.4 eV. A trap-limited diffusion mechanism is suggested, comparable to hydrogen diffusion in hydrogenated amorphous silicon. In contrast, for x ≈ 0.4 complete isotope interdiffusion is observed directly after deposition at room temperature. These results indicate a significant acceleration of diffusion with increasing Li content as suggested in literature by theoretical calculations [1].

• Periodical: Defect and Diffusion Forum (Volume 391)
• Pages: 88-94
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.391.88
• Online since: February 2019
• Authors: Florian Strauß, Harald Schmidt
• Keywords: Lithium Transport, Lithium-Silicon Compounds, Secondary Ion Mass Spectrometry, Trap-Limited Diffusion

References

[1] H.-H. Chiang, J.-M. Lu and C.-L. Kuo, J. Chem. Phys. 144, 34502 (2016).

[2] S. Rodrigues, F. Faria, A. R. Ivaki, N. Cafôfo, X. Chen, H. Mata-Lima and F. Morgado-Dias, International Journal of Power and Energy Systems 36 (2016).

DOI: 10.2316/journal.203.2016.1.203-6218

[3] K. E. Aifantis, ed., High energy density lithium batteries. Materials, engineering, applications (Wiley-VCH-Verl., Weinheim, 2010).

[4] J. B. Goodenough and K.-S. Park, J. Am. Chem. Soc. 135, 1167 (2013).

[5] V. Etacheri, R. Marom, R. Elazari, G. Salitra and D. Aurbach, Energy Environ. Sci. 4, 3243 (2011).

DOI: 10.1039/c1ee01598b

[6] J. Chen und F. Cheng, Accounts of chemical research 42, 713 (2009).

[7] L. Lu, X. Han, J. Li, J. Hua and M. Ouyang, Journal of Power Sources 226, 272 (2013).

[8] A. Manthiram, A. V. Murugan, A. Sarkar and T. Muraliganth, Energy Environ. Sci. 1, 621 (2008).

[9] A. Patil, V. Patil, D. Wook Shin, J.-W. Choi, D.-S. Paik and S.-J. Yoon, Materials Research Bulletin 43, 1913 (2008).

DOI: 10.1016/j.materresbull.2007.08.031

[10] P. G. Bruce, B. Scrosati and J.-M. Tarascon, Angewandte Chemie (International ed. in English) 47, 2930 (2008).

[11] M. T. McDowell, S. W. Lee, W. D. Nix and Y. Cui, Adv. Mater. Weinheim 25, 4966 (2013).

[12] C. Wang, H. Wu, Z. Chen, M. T. McDowell, Y. Cui and Z. Bao, Nature chemistry 5, 1042 (2013).

[13] S. Bourderau, T. Brousse and D.M. Schleich, Journal of Power Sources 81-82, 233 (1999).

[14] H. Jung, M. Park, S. H. Han, H. Lim and S.-K. Joo, Solid State Communications 125, 387 (2003).

[15] S. Ohara, J. Suzuki, K. Sekine and T. Takamura, Journal of Power Sources 136, 303 (2004).

[16] T. Moon, C. Kim and B. Park, Journal of Power Sources 155, 391 (2006).

[17] V. Baranchugov, E. Markevich, E. Pollak, G. Salitra and D. Aurbach, Electrochemistry Communications 9, 796 (2007).

DOI: 10.1016/j.elecom.2006.11.014

[18] S. D. Beattie, M. J. Loveridge, M. J. Lain, S. Ferrari, B. J. Polzin, R. Bhagat and R. Dashwood, Journal of Power Sources 302, 426 (2016).

DOI: 10.1016/j.jpowsour.2015.10.066

[19] J. Zhao, Z. Lu, N. Liu, H.-W. Lee, M. T. McDowell and Y. Cui, Nature communications 5, 5088 (2014).

[20] Lü Rong-Guan, Yang Jun, Wang Jiu-Lin, Nuli Yan-Na, Acta Physico-Chimica Sinica 27, 759 (2011).

[21] A. Zhamu et al., Graphene-enhanced anode particulates for lithium ion batteries, No. US20120064409 A1 (2010).

[22] J. Wu, Meet. Abstr. MA2014-01, 196 (2014).

[23] J. E. Cloud, Y. Wang, X. Li, T. S. Yoder, Y. Yang and Y. Yang, Inorganic chemistry 53, 11289 (2014).

[24] N. Ding, J. Xu, Y. X. Yao, G. Wegner, X. Fang, C. H. CHen and I. Lieberwirth, Solid State Ionics 180, 222 (2009).

DOI: 10.1016/j.ssi.2008.12.015

[25] J. Xie, N. Imanishi, T. Zhang, A. Hirano, Y. Takeda and O. Yamamoto, Materials Chemistry and Physics 120, 421 (2010).

[26] J. Li, X. Xiao, F. Yang, M. W. Verbrugge and Y.-T. Cheng, J. Phys. Chem. C 116, 1472 (2011).

[27] X. Xiao, P. Liu, M. W. Verbrugge, H. Haftbaradaran and H. Gao, Journal of Power Sources 196, 1409 (2011).

[28] T. L. Kulova, A. M. Skundin, Y.V. Pleskov, E. I. Terukov and O. I. Kon'kov, Journal of Electroanalytical Chemistry 600, 217 (2007).

DOI: 10.1016/j.jelechem.2006.07.002

[29] A. A. Arie and J. K. Lee, Phys. Scr. 2010, 14013 (2010).

[30] K. Yoshimura, J. Suzuki, K. Sekine and T. Takamura, Journal of Power Sources 146, 445 (2005).

[31] F. Strauß, L. Dörrer, M. Bruns and H. Schmidt, J. Phys. Chem. C 122, 6508 (2018).

[32] F. Strauß, E. Hüger, P. Heitjans, V. Trouillet, M. Bruns and H. Schmidt, RSC Adv. 5, 7192 (2014).

DOI: 10.1039/c4ra14458a

[33] J. Crank, The mathematics of diffusion (Oxford university press, 1979).

[34] H. Mehrer, Diffusion in Solids: Fundamentals, Methods, Materials, Diffusion-Controlled Processes (Springer Berlin Heidelberg, 2007).

[35] E. Hüger, L. Dörrer and H. Schmidt, Chem. Mater. 30, 3254 (2018).

[36] J. C. Larue, Phys. Stat. Sol. (a) 6, 143 (1971).

[37] E. M. Pell, Phys. Rev. 119, 1222 (1960).