Vrankovic, Dragoljub ; Graczyk-Zajac, Magdalena ; Kalcher, Constanze ; Rohrer, Jochen ; Becker, Malin ; Stabler, Christina ; Trykowski, Grzegorz ; Albe, Karsten ; Riedel, Ralf (2017):
Highly Porous Silicon Embedded in a Ceramic Matrix: A Stable High-Capacity Electrode for Li-Ion Batteries.
In: ACS Nano, 11 (11), pp. 11409-11416. ACS Publications, ISSN 1936-0851,
DOI: 10.1021/acsnano.7b06031,
[Article]
Abstract
We demonstrate a cost-effective synthesis route that provides Si-based anode materials with capacities between 2000 and 3000 mAh·g_Si^–1 (400 and 600 mAh·g_composite^–1), Coulombic efficiencies above 99.5%, and almost 100% capacity retention over more than 100 cycles. The Si-based composite is prepared from highly porous silicon (obtained by reduction of silica) by encapsulation in an organic carbon and polymer-derived silicon oxycarbide (C/SiOC) matrix. Molecular dynamics simulations show that the highly porous silicon morphology delivers free volume for the accommodation of strain leading to no macroscopic changes during initial Li–Si alloying. In addition, a carbon layer provides an electrical contact, whereas the SiOC matrix significantly diminishes the interface between the electrolyte and the electrode material and thus suppresses the formation of a solid–electrolyte interphase on Si. Electrochemical tests of the micrometer-sized, glass-fiber-derived silicon demonstrate the up-scaling potential of the presented approach
| Item Type: | Article |
|---|---|
| Erschienen: | 2017 |
| Creators: | Vrankovic, Dragoljub ; Graczyk-Zajac, Magdalena ; Kalcher, Constanze ; Rohrer, Jochen ; Becker, Malin ; Stabler, Christina ; Trykowski, Grzegorz ; Albe, Karsten ; Riedel, Ralf |
| Title: | Highly Porous Silicon Embedded in a Ceramic Matrix: A Stable High-Capacity Electrode for Li-Ion Batteries |
| Language: | English |
| Abstract: | We demonstrate a cost-effective synthesis route that provides Si-based anode materials with capacities between 2000 and 3000 mAh·g_Si^–1 (400 and 600 mAh·g_composite^–1), Coulombic efficiencies above 99.5%, and almost 100% capacity retention over more than 100 cycles. The Si-based composite is prepared from highly porous silicon (obtained by reduction of silica) by encapsulation in an organic carbon and polymer-derived silicon oxycarbide (C/SiOC) matrix. Molecular dynamics simulations show that the highly porous silicon morphology delivers free volume for the accommodation of strain leading to no macroscopic changes during initial Li–Si alloying. In addition, a carbon layer provides an electrical contact, whereas the SiOC matrix significantly diminishes the interface between the electrolyte and the electrode material and thus suppresses the formation of a solid–electrolyte interphase on Si. Electrochemical tests of the micrometer-sized, glass-fiber-derived silicon demonstrate the up-scaling potential of the presented approach |
| Journal or Publication Title: | ACS Nano |
| Journal volume: | 11 |
| Number: | 11 |
| Publisher: | ACS Publications |
| Uncontrolled Keywords: | Li-ion battery, molecular dynamics simulations, nanocomposite anode material, porous Silicon, silicon oxycarbide |
| Divisions: | 11 Department of Materials and Earth Sciences > Material Science > Dispersive Solids 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) > Hochleistungsrechner 11 Department of Materials and Earth Sciences > Material Science Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) 11 Department of Materials and Earth Sciences Zentrale Einrichtungen |
| Date Deposited: | 07 Dec 2017 10:42 |
| DOI: | 10.1021/acsnano.7b06031 |
| Official URL: | https://doi.org/10.1021/acsnano.7b06031 |
| Funders: | We gratefully acknowledge the financial support of the German Research Foundation (DFG) within SPP 1473/JP8, RO 4542/2-1 and IO 64/7-1. |
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