Electrochemical sodium storage of TiO2(B) nanotubes for sodium ion batteries

Huang, Jianping; Yuan, Dingding; Zhang, H. Z.; Cao, Yuliang; Li, Guo‐Ran; Yang, Hanxi; Gao, Xueping

doi:10.1039/c3ra42413h

Cited by 170 publications

(132 citation statements)

References 31 publications

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“…More excitingly, at an extremely high current density of 12,000 mA g -1 (ca 36 C, assuming 1 C ¼ 330 mA g -1 ), a surprisingly high capacity of more than 90 mA h g -1 can still be retained. To the best of our knowledge, this is the best rate capability among all reported Ti-based anode materials as well as the hard carbon and other metal oxides for SIBs 28,29,47,48 . ARTICLE Long-term cyclability is crucial but challenging for rechargeable SIBs, due to the difficulty in the insertion/extraction of the large sodium ions within the host, as well as the side reactions between the electrode and the electrolyte upon long-term cycling.…”

Section: Resultsmentioning

confidence: 99%

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Na+ intercalation pseudocapacitance in graphene-coupled titanium oxide enabling ultra-fast sodium storage and long-term cycling

et al. 2015

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Sodium-ion batteries are emerging as a highly promising technology for large-scale energy storage applications. However, it remains a significant challenge to develop an anode with superior long-term cycling stability and high-rate capability. Here we demonstrate that the Na þ intercalation pseudocapacitance in TiO 2 /graphene nanocomposites enables high-rate capability and long cycle life in a sodium-ion battery. This hybrid electrode exhibits a specific capacity of above 90 mA h g -1 at 12,000 mA g -1 (B36 C). The capacity is highly reversible for more than 4,000 cycles, the longest demonstrated cyclability to date. First-principle calculations demonstrate that the intimate integration of graphene with TiO 2 reduces the diffusion energy barrier, thus enhancing the Na þ intercalation pseudocapacitive process. The Na-ion intercalation pseudocapacitance enabled by tailor-deigned nanostructures represents a promising strategy for developing electrode materials with high power density and long cycle life.

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Section: Resultsmentioning

confidence: 99%

“…Despite these advances, the long-term cyclability and detailed sodium storage mechanisms still need to be further explored. Another type of TiO 2 , termed TiO 2 -B, has also aroused interest as an anode for SIBs 29 . For insertion-type anodes, the tradeoff between structural stability and capacity should be taken into account.…”

mentioning

confidence: 99%

Na+ intercalation pseudocapacitance in graphene-coupled titanium oxide enabling ultra-fast sodium storage and long-term cycling

et al. 2015

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“…These energies were in agreement with observed voltages at the specific capacity corresponding to one Li, Na, or Mg atom per simulation cell (on the order of 5-10 mAh g −1 depending on the phase). For example, about 1.8/0.3 V for Li/Na in anatase [107,110] and about 2 V for Li and Na in the (B) phase [100,101]. Our estimated voltage for magnesiation of the anatase phase (about 0.9 V, note that the numbers in Figure 9 are for defect formation energies and expected voltage is −E f /q) was shortly after confirmed experimentally [113].…”

Section: Mapping LI Na and Mg Insertion Energies Among Different Phmentioning

confidence: 76%

“…Titanium dioxide is by far the most prominent oxide that found use in multiple electrochemical power generation and storage technologies such as solar cells (dye-sensitized and sensitized-type perovskite) and batteries (including post-lithium batteries considered here) as well as in photocatalysis for environmental remediation and water splitting [39,[101][102][103][104][105][106][107]110,112]. The understanding of the mechanism of operation of all these technologies critically depends on the understanding of the electronic structure of TiO 2 .…”

Section: On the Charge And Oxidation State Of Titanium In Tiomentioning

confidence: 99%

“…We have produced the first comparative computational study [22] of Li, Na, and Mg interaction with four phases of titania which are intensely studied by experimentalists as potential electrode materials: anatase, rutile, (B), and amorphous TiO2 [39,[100][101][102][103][104][105][106][107][108][109][110][111][112]. Interaction energies were mapped for the first time among the three types of inserted metal atoms and four phases.…”

Section: Mapping LI Na and Mg Insertion Energies Among Different Phmentioning

confidence: 99%

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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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Intercalation‐Type Anode Materials for Sodium‐Ion Batteries

2022

Sodium‐Ion Batteries

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Electrochemical sodium storage of TiO2(B) nanotubes for sodium ion batteries

Cited by 170 publications

References 31 publications

Na+ intercalation pseudocapacitance in graphene-coupled titanium oxide enabling ultra-fast sodium storage and long-term cycling

Na+ intercalation pseudocapacitance in graphene-coupled titanium oxide enabling ultra-fast sodium storage and long-term cycling

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

Intercalation‐Type Anode Materials for Sodium‐Ion Batteries

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