Phenyl Selenosulfides as Cathode Materials for Rechargeable Lithium Batteries

Cui, Yi; Ackerson, Joseph; Ma, Ying; Bhargav, Amruth; Karty, Jonathan A.; Guo, Wei; Zhu, Likun; Fu, Yongzhu

doi:10.1002/adfm.201801791

Cited by 71 publications

(57 citation statements)

References 44 publications

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“…A possible solution to minimize the E/S ratio while maintaining good electrochemical performance is to use small-chain sulfur molecules that are stabilized by organic functional groups. [153] Figure 20 gives the voltage profile and the reaction sequences for phenyl selenosulfide (PDSe-S) and phenyl selenodisulfide (PDSe-S 2 ). [13] The use of organic molecules as electrode materials for lithium batteries is at least as old as that of intercalation compounds.…”

Section: Overview Of Sulfur and Organosulfidesmentioning

confidence: 99%

“…[156] The sulfur atom in these molecules can also be replaced by Se to improve the electronic conductivity, and interesting electrochemical behaviors have been reported. [153] Figure 20 gives the voltage profile and the reaction sequences for phenyl selenosulfide (PDSe-S) and phenyl selenodisulfide (PDSe-S 2 ). A multistep voltage profile similar to that of sulfur is observed, and the specific capacity is smaller.…”

Section: Overview Of Sulfur and Organosulfidesmentioning

confidence: 99%

Section: The Structural and Surface Properties Of Crystalline Phasesmentioning

confidence: 99%

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Computer Simulation of Cathode Materials for Lithium Ion and Lithium Batteries: A Review

2018

Energy & Environ Materials

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Driven by the increasing demand for electrochemical energy storage, lithium ion and lithium batteries have been the subject of tremendous scientific endeavors for decades. However, limited energy density, which is bottlenecked by available high-density cathode materials, has become a critical issue to be solved. Recently, computational studies have played an increasingly important role in the search for the next-generation high-density cathode materials. Not only important insights on the battery chemistry have been revealed, but also novel material systems have been proposed. This review highlights recent progresses in the computational studies of cathode materials for lithium ion and lithium batteries. It starts from a brief introduction of the scientific background of lithium ion and lithium batteries, followed by a brief discussion of the working principles of batteries. Different computer simulation techniques are shown to originate from the same quantum mechanical treatment of many-body systems with different levels of simplifications. Progresses in computational studies of different cathode materials, including intercalation electrode, conversion compounds, sulfur, and organosulfides, are then presented in detail. Finally, the capabilities of computational techniques in the study of cathode materials are summarized, and major challenges are discussed. REVIEW Lithium Ion Batteries

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Section: Overview Of Sulfur and Organosulfidesmentioning

confidence: 99%

Section: Overview Of Sulfur and Organosulfidesmentioning

confidence: 99%

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Computer Simulation of Cathode Materials for Lithium Ion and Lithium Batteries: A Review

2018

Energy & Environ Materials

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“…3c, Sulfur has attracted much attention as a promising cathode material due to its high theoretical specific capacity (1672 mAh g -1 ) [30,31]. In this study, the sulfur cathode was prepared by using a solvent evaporation method applied by our group before [32]. The sulfur solution was prepared in carbon disulfide (CS 2 ) and injected into a CNT paper.…”

Section: Resultsmentioning

confidence: 99%

Electrochemical behavior of tin foil anode in half cell and full cell with sulfur cathode

Cui

Zhou

et al. 2019

Electrochimica Acta

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Tin-based (Sn) metal anode has been considered an attractive candidate for rechargeable lithium batteries due to its high specific capacity, safety and low cost. However, the large volume change of Sn during cycling leads to rapid capacity decay. To address this issue, Sn foil was used as a high capacity anode by controlling the degree of lithium uptake. We studied the electrochemical behavior of Sn foil anode in half cell and full cell with sulfur cathode, including phase transform, morphological change, discharge/charge profiles and cycling performance. Enhanced cycling performance has been achieved by limiting the lithiation capacity of the Sn foil electrode. A full cell consisting of a pre-lithiated Sn foil anode and a sulfur cathode was constructed and tested. The full cell exhibits an initial capacity of 1142 mAh g-1 (based on the sulfur mass in the cathode), followed by stable cycling performance with a capacity retention of 550 mAh g-1 after 100 cycles at C/2 rate. This study reports a potential prospect to utilize Sn and S as a combination in rechargeable lithium batteries.

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“…For tighter convergence criteria and larger integration grid, the keywords “opt = tight” and “int = ultrafine” were employed. The static electric field from DME and DOL is mimicked by using the solvation model based on density (SMD), and the static dielectric constant of DME was set to ¤ = 7.07 at 298.15 K . All the DFT calculation were implemented with the Gaussian 09 computational chemistry package…”

Section: Methodsmentioning

confidence: 99%

Lithium Benzenedithiolate Catholytes for Rechargeable Lithium Batteries

Liu³

et al. 2019

Adv Funct Materials

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Organic electrode materials have become a vibrant area of research. Lithium benzenedithiolate (LBDT) consists of two -SLi groups that could donate 2Li + and 2e − in oxidation reactions, thus being a potential high-capacity organic cathode material for rechargeable lithium batteries. Herein, 1,2-, 1,3-, and 1,4-LBDTs are investigated to elucidate the relationship of their redox chemistry and effect of lithium thiolate position on their electrochemical behavior experimentally and theoretically. High-performance liquid chromatography in tandem with quadrupole time-of-flight mass spectrometry is used, for the first time, to separate and identify the charge and discharge products of these compounds in lithium batteries. During the charging process, 1,2-, 1,3-and 1,4-LBDTs are mainly converted to the cyclic dimer, trimer, and tetramer respectively. While in the discharge process, the initial lithiated materials are recovered. The cyclic dimer of 1,2-LBDT shows the lowest discharge overpotential and fast kinetics, which are related to the easiness of the 2nd lithiation process. It delivers an initial specific capacity of 340 mAh g −1 and retains 84.1% of the initial capacity over 100 cycles at C/2 rate. In addition, it shows much better rate capability than the other two LBDTs. The structure-performance relationship of LBDT in lithium batteries is correlated.

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Phenyl Selenosulfides as Cathode Materials for Rechargeable Lithium Batteries

Cited by 71 publications

References 44 publications

Computer Simulation of Cathode Materials for Lithium Ion and Lithium Batteries: A Review

Computer Simulation of Cathode Materials for Lithium Ion and Lithium Batteries: A Review

Electrochemical behavior of tin foil anode in half cell and full cell with sulfur cathode

Lithium Benzenedithiolate Catholytes for Rechargeable Lithium Batteries

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