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Si- and Sn-containing SiOCN-based nanocomposites as anode materials for lithium ion batteries: synthesis, thermodynamic characterization and modeling

Rohrer, Jochen ; Vrankovic, Dragolyub ; Cupid, Damian ; Riedel, Ralf ; Seifert, Hans J. ; Albe, Karsten ; Graczyk-Zajac, Magdalena :
Si- and Sn-containing SiOCN-based nanocomposites as anode materials for lithium ion batteries: synthesis, thermodynamic characterization and modeling.
[Online-Edition: https://doi.org/10.3139/146.111517]
In: International Journal of Materials Research ISSN 1862-5282
[Artikel], (2017)

Offizielle URL: https://doi.org/10.3139/146.111517

Kurzbeschreibung (Abstract)

Novel nanocomposites consisting of silicon/tin nanoparticles (n-Si/n-Sn) embedded in silicon carbonitride (SiCN) or silicon oxycarbide (SiOC) ceramic matrices are investigated as possible anode materials for Li-ion batteries. The goal of our study is to exploit the large mass specific capacity of Si/Sn (3579 mAh g^−1/994 mAh g^−1), while avoiding rapid capacity fading due to the large volume changes of Si/Sn during Li insertion. We show that a large amount (∼30–40 wt.%) of disordered carbon phase is dispersed within the SiOC/SiCN matrix and stabilizes the Si/Sn nanoparticles with respect to extended reversible lithium ion storage. Silicon nanocomposites are prepared by mixing of a polymeric precursor with commercial and “home-synthesized” crystalline and amorphous silicon. Tin nanocomposites, in contrast, are prepared using a single precursor approach, which allows the in-situ generation of Sn nanoparticles homogeneously dispersed within the SiOC host. The best electrochemical stability along with capacities of 600–700 mAh g^−1 is obtained when amorphous/porous silicon is used. Mechanisms contributing to the increase of storage capacity and the cycle stability are clarified by analyzing elemental composition, local solid-state structures, intercalation hosts and Li-ion mobility. Our work is supplemented by first-principles based atomistic modeling and thermochemical measurements.

Read More: http://www.hanser-elibrary.com/doi/10.3139/146.111517

Typ des Eintrags: Artikel
Erschienen: 2017
Autor(en): Rohrer, Jochen ; Vrankovic, Dragolyub ; Cupid, Damian ; Riedel, Ralf ; Seifert, Hans J. ; Albe, Karsten ; Graczyk-Zajac, Magdalena
Titel: Si- and Sn-containing SiOCN-based nanocomposites as anode materials for lithium ion batteries: synthesis, thermodynamic characterization and modeling
Sprache: Englisch
Kurzbeschreibung (Abstract):

Novel nanocomposites consisting of silicon/tin nanoparticles (n-Si/n-Sn) embedded in silicon carbonitride (SiCN) or silicon oxycarbide (SiOC) ceramic matrices are investigated as possible anode materials for Li-ion batteries. The goal of our study is to exploit the large mass specific capacity of Si/Sn (3579 mAh g^−1/994 mAh g^−1), while avoiding rapid capacity fading due to the large volume changes of Si/Sn during Li insertion. We show that a large amount (∼30–40 wt.%) of disordered carbon phase is dispersed within the SiOC/SiCN matrix and stabilizes the Si/Sn nanoparticles with respect to extended reversible lithium ion storage. Silicon nanocomposites are prepared by mixing of a polymeric precursor with commercial and “home-synthesized” crystalline and amorphous silicon. Tin nanocomposites, in contrast, are prepared using a single precursor approach, which allows the in-situ generation of Sn nanoparticles homogeneously dispersed within the SiOC host. The best electrochemical stability along with capacities of 600–700 mAh g^−1 is obtained when amorphous/porous silicon is used. Mechanisms contributing to the increase of storage capacity and the cycle stability are clarified by analyzing elemental composition, local solid-state structures, intercalation hosts and Li-ion mobility. Our work is supplemented by first-principles based atomistic modeling and thermochemical measurements.

Read More: http://www.hanser-elibrary.com/doi/10.3139/146.111517

Titel der Zeitschrift, Zeitung oder Schriftenreihe: International Journal of Materials Research
Freie Schlagworte: Silicon-tin/SiOCN nanocomposite; Li-ion battery; DFT; Atomistic modeling; Calorimetry
Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Disperse Feststoffe
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung
Hinterlegungsdatum: 11 Jul 2017 08:10
Offizielle URL: https://doi.org/10.3139/146.111517
ID-Nummer: doi:10.3139/146.111517
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