Quantum Capacitance of Silicene-Based Electrodes from First-Principles Calculations

Yang, Gang; Xu, Qiang; Fan, Xiaofeng; Zheng, Weitao

doi:10.1021/acs.jpcc.7b08955

Cited by 50 publications

(35 citation statements)

References 47 publications

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“…[ 59,95,96 ] This result is expectable because the newly formed in‐gap energy state (form new dangling bonds), localizing around the vacancies, downshifts the conduction band (CB) to the Fermi level and improves the binding force to the Li + /Na + . Similar promotions were also found from other 2D materials such as silicene, and blue and black P. [ 97–99 ] Nevertheless, high‐performance supercapacitors using such ultrathin 2D materials have been rarely demonstrated, due to probably the limited fabrication techniques and other engineering issues.…”

Section: Engineering 2d Materials For Supercapacitor Applicationssupporting

confidence: 61%

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Lin

Chen

Liu

et al. 2020

Advanced Energy Materials

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Figure 1. a) The Ragone plots showing specific power against specific energy of traditional supercapacitors and electrochemical batteries. The arrows show the trends toward greater specific power for batteries and specific energy for supercapacitors. The time constant represents the charge/discharge rate. LTO: lithium titanium oxide. Reproduced with permission. [4] Copyright 2020, Springer Nature. b) Carrier mobility of some 2D materials. [41-53] c) A schematic diagram showing graphene nanoribbon with armchair and zigzag edges. The-C-OH and-CH terminated zigzag edges have similar band structure, while the-CH 2 , C=O, and C 2 O terminated zigzag edges are all metallic. d) Comparison of the areal capacitance values between graphene plane, armchair, and zigzag edges, with and without considering the SASA. e) A schematic diagram showing the synthesis route of full zigzag graphene nanoribbon. The U-shaped monomer 1 and the monomer 1a were designed for the synthesis. Reproduced with permission. [60] Copyright 2016, Springer Nature. f,g) High-resolution transmission electron microscopy (HRTEM) images of activated graphene sheets with f) wrinkled surface and g) pentagon-heptagon structure. Reproduced with permission.

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Section: Engineering 2d Materials For Supercapacitor Applicationssupporting

confidence: 61%

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Lin

Chen

Liu

et al. 2020

Advanced Energy Materials

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“…In a previous report, C Q of pristine graphene has a minimum value around 0.58 μF/cm 2 at zero applied potential, where the Dirac point is located (note that the value of C Q under zero potential is zero without thermal effect). 45 In experiment, 46 the measured minimum C Q of pristine graphene was reported to be 2.5 μF/cm 2 . The significant disparity of graphene’s quantum capacitance between the experimental and theoretical values results from the fact that there is no perfect structure of graphene in the experiment.…”

Section: Resultsmentioning

confidence: 99%

Improving the Quantum Capacitance of Graphene-Based Supercapacitors by the Doping and Co-Doping: First-Principles Calculations

Yang

Fan

et al. 2019

ACS Omega

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We explore the stability, electronic properties, and quantum capacitance of doped/co-doped graphene with B, N, P, and S atoms based on first-principles methods. B, N, P, and S atoms are strongly bonded with graphene, and all of the relaxed systems exhibit metallic behavior. While graphene with high surface area can enhance the double-layer capacitance, its low quantum capacitance limits its application in supercapacitors. This is a direct result of the limited density of states near the Dirac point in pristine graphene. We find that the triple N and S doping with single vacancy exhibits a relatively stable structure and high quantum capacitance. It is proposed that they could be used as ideal electrode materials for symmetry supercapacitors. The advantages of some co-doped graphene systems have been demonstrated by calculating quantum capacitance. We find that the N/S and N/P co-doped graphene with single vacancy is suitable for asymmetric supercapacitors. The enhanced quantum capacitance contributes to the formation of localized states near the Dirac point and/or Fermi-level shifts by introducing the dopant and vacancy complex.

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“…In general, the capacitance in an EDLC depends on contributions from the differential electrochemical double layer as well as the intrinsic quantum capacitance of the electrode, which could limit the overall performance . In this regard, a recent theoretical study on silicene suggests that adding vacancies to a silicene monolayer can increase its quantum capacitance significantly (by an order of magnitude) . This offers a path forward to designing better supercapacitors through defect engineering.…”

Section: Power and Energymentioning

confidence: 99%

Emerging Applications of Elemental 2D Materials

et al. 2019

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As elemental main group materials (i.e., silicon and germanium) have dominated the field of modern electronics, their monolayer 2D analogues have shown great promise for next‐generation electronic materials as well as potential game‐changing properties for optoelectronics, energy, and beyond. These atomically thin materials composed of single atomic variants of group III through group VI elements on the periodic table have already demonstrated exciting properties such as near‐room‐temperature topological insulation in bismuthene, extremely high electron mobilities in phosphorene and silicone, and substantial Li‐ion storage capability in borophene. Isolation of these materials within the postgraphene era began with silicene in 2010 and quickly progressed to the experimental identification or theoretical prediction of 15 of the 18 main group elements existing as solids at standard pressure and temperatures. This review first focuses on the significance of defects/functionalization, discussion of different allotropes, and overarching structure–property relationships of 2D main group elemental materials. Then, a complete review of emerging applications in electronics, sensing, spintronics, plasmonics, photodetectors, ultrafast lasers, batteries, supercapacitors, and thermoelectrics is presented by application type, including detailed descriptions of how the material properties may be tailored toward each specific application.

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Quantum Capacitance of Silicene-Based Electrodes from First-Principles Calculations

Cited by 50 publications

References 47 publications

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Improving the Quantum Capacitance of Graphene-Based Supercapacitors by the Doping and Co-Doping: First-Principles Calculations

Emerging Applications of Elemental 2D Materials

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