Phase Evolution of Tin Nanocrystals in Lithium Ion Batteries

Im, Hyung Soon; Cho, Yong Jae; Lim, Young Rok; Jung, Chan Su; Jang, Dong Kee; Park, Jeunghee; Shojaei, Fazel; Kang, Hong Seok

doi:10.1021/nn404837d

Cited by 108 publications

(101 citation statements)

References 60 publications

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“…This is in agreement with E b values which are lower for the alpha phase for Li, Na and the beta phase for Mg. This is also in agreement with experimentally observed formation of α Sn upon lithiation [87,88]. shows free energy-temperature curves for pure tin as well as those following Li, Na, Mg insertion.…”

Section: Insertion Of LI Na K and Mg In Carbon: Effects Due To Ionsupporting

confidence: 90%

Insertion of Mono- vs. Bi- vs. Trivalent Atoms in Prospective Active Electrode Materials for Electrochemical Batteries: An ab Initio Perspective

2017

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Rational design of active electrode materials is important for the development of advanced lithium and post-lithium batteries. Ab initio modeling can provide mechanistic understanding of the performance of prospective materials and guide design. We review our recent comparative ab initio studies of lithium, sodium, potassium, magnesium, and aluminum interactions with different phases of several actively experimentally studied electrode materials, including monoelemental materials carbon, silicon, tin, and germanium, oxides TiO 2 and V x O y as well as sulphur-based spinels MS 2 (M = transition metal). These studies are unique in that they provided reliable comparisons, i.e., at the same level of theory and using the same computational parameters, among different materials and among Li, Na, K, Mg, and Al. Specifically, insertion energetics (related to the electrode voltage) and diffusion barriers (related to rate capability), as well as phononic effects, are compared. These studies facilitate identification of phases most suitable as anode or cathode for different types of batteries. We highlight the possibility of increasing the voltage, or enabling electrochemical activity, by amorphization and p-doping, of rational choice of phases of oxides to maximize the insertion potential of Li, Na, K, Mg, Al, as well as of rational choice of the optimum sulfur-based spinel for Mg and Al insertion, based on ab initio calculations. Some methodological issues are also addressed, including construction of effective localized basis sets, applications of Hubbard correction, generation of amorphous structures, and the use of a posteriori dispersion corrections.

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Section: Insertion Of LI Na K and Mg In Carbon: Effects Due To Ionsupporting

confidence: 90%

Insertion of Mono- vs. Bi- vs. Trivalent Atoms in Prospective Active Electrode Materials for Electrochemical Batteries: An ab Initio Perspective

2017

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“…In addition, nanoscale Sn provides an ideal platform for studying the mechanisms of energy storage 15, 24, 39, 40, 41, 42, 43, 44. For example, Im et al39 synthesized Sn, SnS, and SnO 2 nanocrystals (NCs) by gas‐phase laser photolysis and investigated their phase evolution during lithiation/delithiation processes.…”

Section: Size Control Of Sn Anodesmentioning

confidence: 99%

“…For example, Im et al39 synthesized Sn, SnS, and SnO 2 nanocrystals (NCs) by gas‐phase laser photolysis and investigated their phase evolution during lithiation/delithiation processes. All three samples could produce cubic phase α‐Sn NCs during cycling, the α‐Sn NCs preserved the crystal structure upon lithiation/delithiation processes and hence increased the electrical conductivity.…”

Section: Size Control Of Sn Anodesmentioning

confidence: 99%

Metallic Sn‐Based Anode Materials: Application in High‐Performance Lithium‐Ion and Sodium‐Ion Batteries

2017

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With the fast‐growing demand for green and safe energy sources, rechargeable ion batteries have gradually occupied the major current market of energy storage devices due to their advantages of high capacities, long cycling life, superior rate ability, and so on. Metallic Sn‐based anodes are perceived as one of the most promising alternatives to the conventional graphite anode and have attracted great attention due to the high theoretical capacities of Sn in both lithium‐ion batteries (LIBs) (994 mA h g−1) and sodium‐ion batteries (847 mA h g−1). Though Sony has used Sn–Co–C nanocomposites as its commercial LIB anodes, to develop even better batteries using metallic Sn‐based anodes there are still two main obstacles that must be overcome: poor cycling stability and low coulombic efficiency. In this review, the latest and most outstanding developments in metallic Sn‐based anodes for LIBs and SIBs are summarized. And it covers the modification strategies including size control, alloying, and structure design to effectually improve the electrochemical properties. The superiorities and limitations are analyzed and discussed, aiming to provide an in‐depth understanding of the theoretical works and practical developments of metallic Sn‐based anode materials.

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“…Tin can form inter-metallic alloys with lithium, which has a fairly high reversible capacity. [4][5][6] Hexagonal close packed SnS 2 has a layered CdI 2 -type structure, one layer of tin atoms is sandwiched between two layers of sulfur atoms, 7 providing a convenient path for the intercalation and exfoliation of Li ions. 8 SnS 2 has a high theoretical capacity of 645 mAh g ¹1 .…”

Section: Introductionmentioning

confidence: 99%

SnS<sub>2</sub> Urchins as Anode Material for Lithium-ion Battery

Zhang¹,

Zhan²,

Xie

et al. 2016

Electrochemistry

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SnS 2 urchins self-assembled by one dimensional nanorods, being different from the two dimensional flakes, were synthesized by a facile method to work as an anode material in lithium-ion battery. The SnS 2 urchins displayed a stable capacity of 600 mAh g −1 at the current density of 100 mA g −1 after 50 cycles. The SnS 2 urchins showed better cyclic performance and rate capacity compared with SnS 2 flakes. The improved performance was ascribed to the three dimensional structures which can decrease the volume expansion/contraction of SnS 2 during cycling; the fatal drawbacks of SnS 2 were thus mitigated. The facile and economic preparation route may find suitable application to industrial mass production.

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Phase Evolution of Tin Nanocrystals in Lithium Ion Batteries

Cited by 108 publications

References 60 publications

Insertion of Mono- vs. Bi- vs. Trivalent Atoms in Prospective Active Electrode Materials for Electrochemical Batteries: An ab Initio Perspective

Insertion of Mono- vs. Bi- vs. Trivalent Atoms in Prospective Active Electrode Materials for Electrochemical Batteries: An ab Initio Perspective

Metallic Sn‐Based Anode Materials: Application in High‐Performance Lithium‐Ion and Sodium‐Ion Batteries

SnS<sub>2</sub> Urchins as Anode Material for Lithium-ion Battery

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