Quantum capacitance of supercapacitor electrodes based on the F-functionalized M2C MXenes: A first-principles study

Yan, Hai-Tao; Li, Xiao‐Hong; Liu, Mingzhu; Cui, Xing-Hao; Li, Shanshan; Cui, Hong‐Ling

doi:10.1016/j.vacuum.2022.111094

Cited by 14 publications

(8 citation statements)

References 43 publications

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“…Most of our calculated results are consistent with previous reports. 53,54,62–65 A previous report noted that the FCC site is the most stable for Ta 2 CF 2 , but without taking into account van der Waals interactions. 62 If not including van der Waals corrections, our test calculation also shows FCC site the most stable.…”

Section: Resultsmentioning

confidence: 99%

“…Before lithiation, the MXene for M in IIIB group show semiconducting behavior, and other MXenes for M in IVB and VB groups exhibit metallic character, which are consistent with previous reports. 53,54,62–65,67,83 After Li adsorptions, the MXene for M in IIIB group become metallic, and electronic states at Fermi level of the MXenes for M in IVB and VB groups increases. Thus these illustrate that lithiation is helpful to improve the electronic conductivity of MXenes.…”

Section: Resultsmentioning

confidence: 99%

“…49–52 And these materials have demonstrated unique properties and potential applications in fields such as energy storage, catalysis, and electronics. 50–54…”

Section: Introductionmentioning

confidence: 99%

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Lithium storage performance enhanced by lithiation-induced structural phase transitions of fluorinated MXenes

Wang

et al. 2023

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Lithium storage performance enhanced by lithiation-induced structural phase transitions of fluorinated MXenes

Wang

et al. 2023

Phys. Chem. Chem. Phys.

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“…Oxygen functional groups are considered unavoidable because of the chemical process involved in all techniques, and they are responsible for aiding the pseudocapacitance. Eventually, the theoretical calculations on C Q and surface charge density suggested V 2 CT 2 MXene with mixed terminations as a suitable anode material of asymmetric supercapacitors in aqueous and ionic/organic systems . The result obtained theoretically for pristine and functionalized MXenes (Figure ) can be summarized as follows: (i) Ti 2 C has the highest EDLC and C T , even compared to Ti 3 C 2 , whereas V 2 C has a higher C Q at 0 and 1 V, and Nb 2 C has the highest C Q at 1 V among the studied pristine MXenes.…”

Section: Mxenementioning

confidence: 86%

“…In both cases, the improvement in performances is mainly attributed to the increased surface area, increased interplanar distance, increased crystalline order, highest carbon content, and removal of −F and −OH terminal groups. On the contrary to F removal, the C Q value obtained theoretically from F-functionalized MXene is quite impressive . Ca-adsorbed Ti 3 C 2 F 2 and Li-adsorbed Ti 3 C 2 F 2 showed the highest C Q of 488.153 and 259.490 μF/cm 2 , respectively, among the all of possible combinations .…”

Section: Mxenementioning

confidence: 87%

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

Ghosh,

Behera,

Mishra

et al. 2023

Energy Fuels

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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.

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Recent Advances in Non‐Ti MXenes: Synthesis, Properties, and Novel Applications

Khan,

Tareen,

Ahmad

et al. 2024

Advanced Science

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One of the most fascinating 2D nanomaterials (NMs) ever found is various members of MXene family. Among them, the titanium‐based MXenes, with more than 70% of publication‐related investigations, are comparatively well studied, producing fundamental foundation for the 2D MXene family members with flexible properties, familiar with a variety of advanced novel technological applications. Nonetheless, there are still more candidates among transitional metals (TMs) that can function as MXene NMs in ways that go well beyond those that are now recognized. Systematized details of the preparations, characteristics, limitations, significant discoveries, and uses of the novel M‐based MXenes (M‐MXenes), where M stands for non‐Ti TMs (M = Sc, V, Cr, Y, Zr, Nb, Mo, Hf, Ta, W, and Lu), are given. The exceptional qualities of the 2D non‐Ti MXene outperform standard Ti‐MXene in several applications. There is many advancement in top‐down as well as bottom‐up production of MXenes family members, which allows for exact control of the M‐characteristics MXene NMs to contain cutting‐edge applications. This study offers a systematic evaluation of existing research, covering everything in producing complex M‐MXenes from primary limitations to the characterization and selection of their applications in accordance with their novel features. The development of double metal combinations, extension of additional metal candidates beyond group‐(III–VI)B family, and subsequent development of the 2D TM carbide/TMs nitride/TM carbonitrides to 2D metal boride family are also included in this overview. The possibilities and further recommendations for the way of non‐Ti MXene NMs are in the synthesis of NMs will discuss in detail in this critical evaluation.

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Quantum capacitance of supercapacitor electrodes based on the F-functionalized M2C MXenes: A first-principles study

Cited by 14 publications

References 43 publications

Lithium storage performance enhanced by lithiation-induced structural phase transitions of fluorinated MXenes

Lithium storage performance enhanced by lithiation-induced structural phase transitions of fluorinated MXenes

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

Recent Advances in Non‐Ti MXenes: Synthesis, Properties, and Novel Applications

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