Silicon on silica materials are ubiquitous in 21st century technology. From nanoparticles to integrated circuits, these systems are integral for modern semiconductor fabrication. While the Si-SiO interface is often (incorrectly) presumed to be stable, the direct reduction of silica by silicon is possible at high temperatures, resulting in the evolution of silicon monoxide (SiO) gas. Under appropriate conditions, this somewhat unexpected reaction can complicate solid state nanomaterial syntheses by etching away the desired products. This report describes an investigation into the SiO evolution reaction by interrogation of powdered Si-SiO mixtures before and after thermal treatment. The impacts of processing temperature, time, and sample composition are examined and discussed. Of particular importance, this investigation reveals the underappreciated role of silica crystallinity (cristobalite) in this solid-state reaction under comparatively low temperature conditions ( 1200 °C). With an improved understanding of SiO evolution, we hope to inspire new creative pathways for Si-SiO interface manipulation.
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http://dx.doi.org/10.1039/d3nh00076a | DOI Listing |
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January 2025
Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology, School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, P. R. China.
Although Silicon monoxide (SiO) is regarded as the most promising next-generation anode material, the large volume expansion, poor conductivity, and low initial Coulombic efficiency (ICE) severely hamper its commercialization application. Designing a multilayer conductive skeleton combined with advanced prelithiation technology is considered an effective approach to address these problems. Herein, a reliable strategy is proposed that utilizes MXene and carbon nanotube (CNT) as dual-conductive skeletons to encapsulate SiO through simple electrostatic interaction for high-performance anodes in LIBs, while also performing chemical prelithiation.
View Article and Find Full Text PDFChemSusChem
December 2024
Department of Chemistry, Indian Institute of Science Education and Research (IISER), Tirupati, 517619, India.
Hybrid supercapacitors such as Lithium-ion capacitors (LICs) are one of the most modern energy storage devices of great research interest. The hybridization of the battery-type anode with the capacitive-type cathode brings out the synergic effect of enhanced energy density, power capability, long cycle life, and wide operating temperature. Herein, we introduce a simultaneous alloying-intercalation process from the recovered graphite: silicon monoxide (RG: SiO) composite as a negative electrode for the LIC applications with the activated carbon (AC) as a counter electrode.
View Article and Find Full Text PDFJ Colloid Interface Sci
February 2025
Key Laboratory of Advanced Ceramics and Machining Technology (Ministry of Education), and Tianjin Key Laboratory of Composite and Functional Materials, School of Materials Science and Engineering, Tianjin University, Tianjin 300072, China. Electronic address:
Due to its high theoretical specific capacity, micron-sized silicon monoxide (SiO) is regarded as one of the most competitive anode materials for lithium-ion batteries with high specific energy density. However, originating from the low initial Coulombic efficiency (ICE) and large volume expansion, its large-scale application is seriously hindered. Herein, an easy-to-implement solid-state pre-lithiation method synergized with the magnesiothermic reduction process was performed to enhance the ICE of SiO and a common bimetallic hydride was used as a prelithiation reagent.
View Article and Find Full Text PDFPhys Chem Chem Phys
November 2024
Research & Development Department, Shin-Etsu Chemical Co., Ltd., Annaka, Gunma 379-0125, Japan.
Amorphous silicon monoxide (a-SiO), which contains Si atoms with various valence states, has attracted much attention as a high-performance anode material for lithium (Li) ion batteries (LIBs). Although current experiments have provided some information during charge/discharge cycles, further investigation of structural changes at the atomic scale is needed. To investigate the lithiation process of a-SiO using first-principles simulations and machine learning techniques, we developed a computational code employing Bayesian optimization to efficiently identify stable sites for Li insertion in the large search-space of amorphous models to reproduce the actual lithiation process and compared this approach to the conventional random scheme by applying it to an a-SiO model previously generated with neural network potentials.
View Article and Find Full Text PDFSmall
November 2024
State Key Laboratory of Silicon and Advanced Semiconductor Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310027, China.
Silicon monoxide (SiO) has attracted considerable interest as anode material for lithium-ion batteries (LIBs). However, their poor initial Coulombic efficiency (ICE) and conductivity limit large-scale applications. Prelithiation and carbon-coating are common and effective strategies in industry for enhancing the electrochemical performance of SiO.
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