Trap effects on vacancy defect of C3N as anode material in Li-ion battery

Guo, Gepu; Wang, Ru-Zhi; Ming, Bangming; Luo, Siwei; Lai, Chen; Zhang, Ming

doi:10.1016/j.apsusc.2018.12.275

Cited by 71 publications

(30 citation statements)

References 40 publications

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“…[20] Guo et al demonstratedt hat vacancy defect-containing C 3 N has higherL ib indinge nergy than the pristine form but needs to overcome ah igher barrierf or Li diffusion owing to the trap effect. [21] Nevertheless, our study reveals that vacancy defects in monolayer MnPS 3 significantly enhanceL ib inding and specific capacity of the surface.…”

Section: Introductionmentioning

confidence: 66%

“…[37] As reportede arlier,i ntroduction of singlea nd/or multiple vacancy defects may either act as ab oon or burden for LIB applications. [20,21,38] In contrast to graphene, here the introduction of vacancy defects substantially enhances the Li binding ability (binding energy increases from À2.03 to À2.32 eV) to the MnPS 3 surface ( Figure 6a,b). However,t here is slight decrease in Li adsorption energy when ad ual vacancy is introduced into the surface (À2.03 to À1.95 eV;F igure 6c,d and Figure S13 in the Supporting Information).…”

Section: Resultsmentioning

confidence: 96%

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Transition‐Metal Phosphorus Trisulfides and its Vacancy Defects: Emergence of a New Class of Anode Material for Li‐Ion Batteries

2020

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In the search of suitable anode candidates with high specific capacity, favorable potential, and structural stability for lithium‐ion batteries (LIBs), transition‐metal phosphorus trisulfides (TMPS3) can be considered as one of the most promising alternatives to commercial graphite. Here, it was demonstrated that the limitations of commercial anode materials (i.e., low specific capacity, large volume change, and high lithium diffusion barrier as well as nucleation) can be circumvented by using TMPS3 monolayer surfaces. The study revealed that lithium binds strongly to TMPS3 monolayers (−2.31 eV) without any distortion of the surface, with Li@TMPS3 exhibiting enhanced stability compared with other 2D analogues (graphene, phosphorene, MXenes, transition‐metal sulfides and phosphides). The binding energy of lithium was overwhelmingly enhanced with vacancy defects. The vacancy‐mediated TMPS3 surfaces showed further amplification of Li binding energy from −2.03 to −2.32 eV and theoretical specific capacity of 441.65 to 484.34 mAh g−1 for MnPS3 surface. Most importantly, minimal change in volume (less than 2 %) after lithiation makes TMPS3 monolayers a very effective candidate for LIBs. Additionally, the ultralow lithium diffusion barrier (0.08 eV) compared with other existing commercial anode material proves the superiority of TMPS3.

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Section: Introductionmentioning

confidence: 66%

Section: Resultsmentioning

confidence: 96%

Transition‐Metal Phosphorus Trisulfides and its Vacancy Defects: Emergence of a New Class of Anode Material for Li‐Ion Batteries

2020

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“…The relationship between volumetric capacity and gravimetric capacity also suggests that tellurides may possess more competitive volumetric energy storage capability due to their higher relative molecular mass compared to that of sulfides and selenides, which means tellurides are more suitable for applications in the size matter situation. Moreover, tellurides usually have a small bandgap [12] . The bandgap of Sb 2 Te 3 , Bi 2 Te 3 , and SnTe are only 0.21 eV, 0.21 eV, and 0.18 eV, respectively, which are much smaller than its sulfides (Sb 2 S 3 : 1.55 eV, Bi 2 S 3 : 1.3–1.7 eV, SnS: 1.07 eV), demonstrating the more superior charge transfer kinetics of tellurides.…”

Section: Advantages Of Te and Tellurides In Energy Storagementioning

confidence: 99%

Highly Conductive Tellurium and Telluride in Energy Storage

Han

Zhou

et al. 2021

ChemElectroChem

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Enhancing energy/power density of electrochemical energy storage devices is a hot topic in the present‐day science community. The electrochemical performance of these devices is strongly bound by the fundamental nature of the electrodes in terms of reaction mechanism, crystal structure, electrons/ions transfer kinetics and so on. These features are also the main challenge for the previously investigated electrodes (e. g. carbon, metal oxides/sulfides). Recently, tellurium and telluride‐based materials have aroused increasing interest in the energy storage field due to their high electronic conductivity, conducive crystal structure, and superior volumetric capacity. To provide a better understanding of the fundamental properties and energy storage performance of tellurium and telluride‐based materials, we first introduced the various physical‐chemical properties of telluride‐based materials. Then, we summarize the latest research advances in the field of energy storage with these materials, including essential physical‐chemical properties, synthetic methods, design strategies, and electrochemical performances. The future perspectives and challenges of tellurides aiming for practical application are discussed at last.

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“…Copyright 2018 American Chemical Society. Correlation between the energy barriers and diffusion path on C 3 N monolayer with the presence of (c) carbon and (d) nitrogen vacancies . Reproduced with permission from Ref.…”

Section: Factors Influencing Migration Of Lithium Ionsmentioning

confidence: 99%

Recent Developments of Nanomaterials and Nanostructures for High‐Rate Lithium Ion Batteries

Zhou

et al. 2020

ChemSusChem

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techniques, based on either electrochemical or radiology methodologies, are covered as well. In addition, state-of-the-art research findings are provided to illustrate the effect of nanomaterials and nanostructures in promoting the rate performance of lithium ion batteries. Finally, several challenges and shortcomings of applying nanotechnology in fabricating highrate lithium ion batteries are summarised.

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Trap effects on vacancy defect of C3N as anode material in Li-ion battery

Cited by 71 publications

References 40 publications

Transition‐Metal Phosphorus Trisulfides and its Vacancy Defects: Emergence of a New Class of Anode Material for Li‐Ion Batteries

Transition‐Metal Phosphorus Trisulfides and its Vacancy Defects: Emergence of a New Class of Anode Material for Li‐Ion Batteries

Highly Conductive Tellurium and Telluride in Energy Storage

Recent Developments of Nanomaterials and Nanostructures for High‐Rate Lithium Ion Batteries

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