DFT computation of quantum capacitance of transition-metals and vacancy doped Sc2CF2 MXene for supercapacitor applications

Zhang, Rui-Zhou; Cui, Xing-Hao; Li, Shanshan; Li, Xiaohong; Cui, Hong‐Ling

doi:10.1016/j.molliq.2021.118263

Cited by 14 publications

(8 citation statements)

References 44 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For this purpose, we have calculated the Q a / Q c ratio for the systems and tabulated it in Table . The anode and cathode in ionic/organic systems should satisfy the restricted limits given by 5 > Q a / Q c > 1 and 1 ≥ Q a / Q c > 0.2, respectively . From Table , we observe that all of these materials are suitable for anode materials in asymmetric supercapacitors.…”

Section: Resultsmentioning

confidence: 96%

“…The anode and cathode in ionic/organic systems should satisfy the restricted limits given by 5 > Q a /Q c > 1 and 1 ≥ Q a /Q c > 0.2, respectively. 76 From Table 5, we observe that all of these materials are suitable for anode materials in asymmetric supercapacitors. This is because of the fact that the valence bands of the system are more populated than the conduction bands.…”

Section: Acsmentioning

confidence: 98%

See 1 more Smart Citation

Stone–Wales Decorated Phagraphene: A Potential Candidate for Supercapacitor Electrodes and Thermal Transport

Ghosh,

Chowdhury,

Majumdar

et al. 2023

ACS Appl. Electron. Mater.

View full text Add to dashboard Cite

Section: Resultsmentioning

confidence: 96%

Section: Acsmentioning

confidence: 98%

Stone–Wales Decorated Phagraphene: A Potential Candidate for Supercapacitor Electrodes and Thermal Transport

Ghosh,

Chowdhury,

Majumdar

et al. 2023

ACS Appl. Electron. Mater.

View full text Add to dashboard Cite

“…In the case of CTH, no oxidation or reduction peak is observed up to the applied potential of 0.2 V; CV exhibits EDL-type behavior, but the total capacitance will be the contribution from C EDL and C Q . C Q depends on the electronic structure of the material and was calculated from the DOS using eqs and , C normalQ = e 2 ∫ − ∞ ∞ D ( E ) F T ( E − e φ ) normald E and F T ( E ) = ( 4 K normalB T ) − 1 .25em sec nobreak0em0.25em⁡ h 2 ( E 2 K normalB T ) where F T ( E ) is a thermal broadening function, K B is a Boltzmann constant, e is an elementary charge, and T is the temperature. Figure e shows the variation of quantum capacitance for the CTH across the electrode potential range from −1 to 1 V. At the potential of 0 V, CTH exhibits a significant quantum capacitance value of 450 μF/cm 2 .…”

Section: Results and Discussionmentioning

confidence: 99%

Section: Theoretical Analysismentioning

confidence: 99%

Catalytic CoSn Perovskites for High-Performance Asymmetric Hybrid Supercapacitor and Efficient Oxygen Evolution Reaction: Experimental Investigation and DFT Validation

Raja K,

Kumar

2024

J. Phys. Chem. C

View full text Add to dashboard Cite

Developing a bifunctional electrode material for efficient energy storage and an effective electrocatalyst for the oxygen evolution reaction (OER) remains of significant scientific interest. Here, the electrochemical properties of perovskite hydroxide CoSn(OH) 6 (CTH) and perovskite oxide CoSnO 3−x (CTO) are systematically evaluated for their applications in asymmetric hybrid supercapacitors (AHSs) and as a catalyst for OER. Dunn analysis is employed to investigate the charge storage mechanism, and electrochemical impedance spectroscopy has been employed to study the charge transfer kinetics and diffusion kinetics associated with both the CTH and CTO electrodes. CTH and CTO exhibit specific capacitances of 1414 and 681 F/g, respectively, revealing that CTH notably manifests superior electrochemical performance. The DFT calculations are performed to elucidate the interaction of OH − ions with Co and Sn octahedral sites in CTH. Furthermore, the performance of CTH is assessed in a two-electrode system, with CTH acting as the positive electrode and reduced graphene oxide (RGO) as the negative electrode. The constructed CTH//RGO system exhibits an energy density of 83.5 W h/kg and a power density of 461 W/kg, which is a promising performance for energy storage applications. Furthermore, the OER activity was examined, demonstrating CTH's superior electrocatalytic efficiency, making it an effective bifunctional electrode material for OER and AHS applications.

show abstract

“…101 Apart from the termination groups, doping is another approach for MXene as well to change the DOS and, hence, C Q . 15,103 The dopants apparently determine the intrinsic properties of the final structure. 15 To increase C Q further, two cobalt (Co) atoms were doped, and the increased C Q was attributed to the increased DOS contribution from 3d and 4s electrons of Co. N doping into carbide-based MXene could be another alternative approach to enhance C Q .…”

Section: Mxenementioning

confidence: 99%

Quantum Capacitance of Two-Dimensional-Material-Based Supercapacitor Electrodes

Ghosh,

Behera,

Mishra

et al. 2023

Energy Fuels

View full text Add to dashboard Cite

Electrochemical energy storage technology has emerged as one of the most viable solutions to tackle the challenge of fossil-fuel-based technology and associated global pollution. Supercapacitors are widely used for high-power applications, and there is tremendous ongoing effort to make them useful for high-energy storage applications. While electrode materials of supercapacitors play a central role in charge storage performance, insights into the contribution from different charge storage mechanisms are crucial from both fundamental and applied aspects. In this context, apart from the electric double layer and fast redox reaction at/near the surface, another pronounced contribution from the electrode is quantum capacitance (C Q). Here, the origin of C Q, how it contributes to the total capacitance, the possible strategies to improve it, and the state-of-art C Q of electrode materials, including carbon, two-dimensional materials, and their composites, are discussed. Although most of the studies on quantifying C Q are theoretical, some case studies on experimental measurements using standard electrochemical techniques are summarized. With an overview and critical analysis of theoretical studies on quantum capacitance of electrode materials, this review critically examines the supercapacitor design strategies, including choosing the right materials and electrolytes. These insights are also relevant to other types of clean energy storage technologies, including metal-ion capacitors and batteries.

show abstract

DFT computation of quantum capacitance of transition-metals and vacancy doped Sc2CF2 MXene for supercapacitor applications

Cited by 14 publications

References 44 publications

Stone–Wales Decorated Phagraphene: A Potential Candidate for Supercapacitor Electrodes and Thermal Transport

Stone–Wales Decorated Phagraphene: A Potential Candidate for Supercapacitor Electrodes and Thermal Transport

Catalytic CoSn Perovskites for High-Performance Asymmetric Hybrid Supercapacitor and Efficient Oxygen Evolution Reaction: Experimental Investigation and DFT Validation

Quantum Capacitance of Two-Dimensional-Material-Based Supercapacitor Electrodes

Contact Info

Product

Resources

About