Characterizations and electrochemical behaviors of disproportionated SiO and its composite for rechargeable Li-ion batteries

Park, Cheol‐Min; Choi, Woongchul; Hwa, Yoon; Kim, Jae‐Hun; Jeong, Goojin; Sohn, Hun‐Joon

doi:10.1039/b923926j

Cited by 260 publications

(196 citation statements)

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“…4,5 More generally, the Si+SiO 2 system is probably one of the most studied semiconductor+insulator systems due to its huge importance in the microelectronics industry. 6 Cluster beam experiments 7+10 and numerous computational modelling studies 11+21 have confirmed that the inherent tendency of SiO to segregate emerges in nanoclusters of only a few atoms and thereon for subsequently larger sizes strongly influences its structure and stability.…”

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confidence: 99%

Under what conditions does (SiO)_N nucleation occur? A bottom-up kinetic modelling evaluation

Bromley

Martı́n

Plane

2016

Phys. Chem. Chem. Phys.

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* Corresponding authors: s.bromley@ub.edu, J.M.C.Plane@leeds.ac.uk Silicon monoxide (SiO) is a structurally complex compound exhibiting differentiated oxide+ rich and silicon+rich nano+phases at length scales covering nanoclusters to the bulk. Although nano+sized and nano+segregated SiO has great technological potential (e.g. nano+silicon for optical applications) and is of enormous astronomical interest (e.g. formation of silicate cosmic dust) an accurate general description of SiO nucleation is lacking. Avoiding the deficiencies of a bulk+averaged approach typified by classical nucleation theory (CNT) we employ a bottom+up kinetic model which fully takes into account the atomistic details involved in segregation. Specifically, we derive a new low energy benchmark set of segregated (SiO) N cluster ground state candidates for N ≤ 20 and use the accurately calculated properties of these isomers to calculate SiO nucleation rates. We thus provide a state+of+the art evaluation of the range of pressure and temperature conditions for which formation of SiO will or will not proceed. Our results, which match with available experiment, reveal significant deficiencies with CNT approaches. We employ our model to shed light on

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Section: " #mentioning

confidence: 99%

Under what conditions does (SiO)_N nucleation occur? A bottom-up kinetic modelling evaluation

Bromley

Martı́n

Plane

2016

Phys. Chem. Chem. Phys.

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“…Figure 1 describes the sample preparation process for m-SiO. Si nano-crystallites and amorphous SiO 2 formed during heat treatment were surrounded with inactive Sisuboxide and did not reacted with Li in previous report, 3 HEMM process was employed to break the Si-suboxide. Figure 2b; and the size of Si crystallites was about 20 nm~30 nm.…”

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“…4 Because of this unstable state of solid SiO, the SiO could be transformed into a Si and SiO 2 when it was heat treated which is called a disproportionation reaction. 3 In this work, SiO was disproportionated by heat treatment and modified using a high-energy mechanical milling (HEMM) process to enhance electrochemical properties for application as an anode material for LIBs.The m-SiO (modified SiO) was prepared using heat treatment and HEMM. Among the samples, m 10 -SiO (milled for 10 h) showed the best electrochemical performance.…”

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Modified SiO as a high performance anode for Li-ion batteries

Hwa

Park

Sohn

2013

Journal of Power Sources

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“…As shown in Figure 5a (see Figure S4 for XPS spectra at variouss puttering times), the deconvoluted XPS Si 2p spectra for each valence state can be assigned to 0, + 1, + 2, + 3, and + 4, as has been previously reported in the literature. [36][37][38] In unmilled, pristine aSiO 2 ,t he signal for Si 4 + wasd ominant and there was no evidenceo fS i 0 .C onversely,a fter milling for 36 h, the signalf or the Si 4 + state decreased and that of the Si 3 + state increased. Furthermore, ap ronounced Si 0 peak waso bserved.…”

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confidence: 88%

Mechanochemically Reduced SiO₂ by Ti Incorporation as Lithium Storage Materials

et al. 2015

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This study presents a simple and effective method of reducing amorphous silica (a-SiO2 ) with Ti metal through high-energy mechanical milling for improving its reactivity when used as an anode material in lithium-ion batteries. Through thermodynamic calculations, it is determined that Ti metal can easily take oxygen atoms from a-SiO2 by forming a thermodynamically stable SiO2-x /TiOx composite, meaning that electrochemically inactive a-SiO2 is partially reduced by the addition of Ti metal powder during milling. This mechanically reduced SiO2-x /TiOx composite anode exhibits a greatly improved electrochemical reactivity, with a reversible capacity of more than 700 mAh g(-1) and excellent cycle performance over 100 cycles. Furthermore, an enhancement in the mechanical and thermal stability of the composite during cycling can be mainly attributed to the in situ formation of the SiO2-x /TiOx phase. These findings provide new insight into the rational design of robust, high-capacity, Si-based anode materials, as well as their reaction mechanism.

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Characterizations and electrochemical behaviors of disproportionated SiO and its composite for rechargeable Li-ion batteries

Cited by 260 publications

References 58 publications

Under what conditions does (SiO)_N nucleation occur? A bottom-up kinetic modelling evaluation

Under what conditions does (SiO)_N nucleation occur? A bottom-up kinetic modelling evaluation

Modified SiO as a high performance anode for Li-ion batteries

Mechanochemically Reduced SiO₂ by Ti Incorporation as Lithium Storage Materials

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Characterizations and electrochemical behaviors of disproportionated SiO and its composite for rechargeable Li-ion batteries

Cited by 260 publications

References 58 publications

Under what conditions does (SiO)N nucleation occur? A bottom-up kinetic modelling evaluation

Under what conditions does (SiO)N nucleation occur? A bottom-up kinetic modelling evaluation

Modified SiO as a high performance anode for Li-ion batteries

Mechanochemically Reduced SiO2 by Ti Incorporation as Lithium Storage Materials

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Product

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Under what conditions does (SiO)_N nucleation occur? A bottom-up kinetic modelling evaluation

Under what conditions does (SiO)_N nucleation occur? A bottom-up kinetic modelling evaluation

Mechanochemically Reduced SiO₂ by Ti Incorporation as Lithium Storage Materials