Probing the pseudocapacitance and energy-storage performance of 
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 facets from first principles

Keilbart, Nathan; Okada, Yasuaki; Dabo, Ismaïla

doi:10.1103/physrevmaterials.3.085405

Cited by 6 publications

(7 citation statements)

References 38 publications

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“…The comparison between simulation and experiment (Figure A) revealed the importance of including the EDL contribution in modeling a pseudocapacitor: the optimal model (including EDL contribution) shows a much better agreement with the experiment than the neutral model (without the EDL contribution). The insertion of protons into the sublayer of RuO 2 (110) was found to have a significant impact on the charge–voltage relation . They further simulated and compared the charging process of different RuO 2 facets, including (110), (101), and (100) .…”

Section: Fundamental Understandingmentioning

confidence: 99%

“…The insertion of protons into the sublayer of RuO 2 (110) was found to have a significant impact on the charge−voltage relation. 138 They further simulated and compared the charging process of different RuO 2 facets, including (110), (101), and ( 100). 138 This model can be extended to other transition metal oxides.…”

Section: Understanding Of Pseudocapacitive Mechanisms From Theory And...mentioning

confidence: 99%

“…138 They further simulated and compared the charging process of different RuO 2 facets, including (110), (101), and ( 100). 138 This model can be extended to other transition metal oxides.…”

Section: Understanding Of Pseudocapacitive Mechanisms From Theory And...mentioning

confidence: 99%

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Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

et al. 2020

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There is an urgent global need for electrochemical energy storage that includes materials that can provide simultaneous high power and high energy density. One strategy to achieve this goal is with pseudocapacitive materials that take advantage of reversible surface or near-surface Faradaic reactions to store charge. This allows them to surpass the capacity limitations of electrical double-layer capacitors and the mass transfer limitations of batteries. The past decade has seen tremendous growth in the understanding of pseudocapacitance as well as materials that exhibit this phenomenon. The purpose of this Review is to examine the fundamental development of the concept of pseudocapacitance and how it came to prominence in electrochemical energy storage as well as to describe new classes of materials whose electrochemical energy storage behavior can be described as pseudocapacitive.

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Section: Fundamental Understandingmentioning

confidence: 99%

Section: Understanding Of Pseudocapacitive Mechanisms From Theory And...mentioning

confidence: 99%

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Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

et al. 2020

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“…Intrinsic pseudocapacitive materials have been continuously investigated and reported for half a century, and the focus of related studies nowadays has shifted from discovering more species of pseudocapacitive materials to promoting their pseudocapacitive responses to achieve better properties. Though the report of pseudocapacitance in RuO 2 dates back to 1972, subsequent studies on RuO 2 mainly shed light on the basic mechanism − rather than its application. , Up to now, MnO 2 , TiO 2 (B), and T -Nb 2 O 5 have been the most widely studied intrinsic pseudocapacitive materials.…”

Section: Intrinsic Pseudocapacitive Materialsmentioning

confidence: 99%

Nanostructure and Advanced Energy Storage: Elaborate Material Designs Lead to High-Rate Pseudocapacitive Ion Storage

Gan

Yin

et al. 2022

ACS Nano

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The drastic need for development of power and electronic equipment has long been calling for energy storage materials that possess favorable energy and power densities simultaneously, yet neither capacitive nor battery-type materials can meet the aforementioned demand. By contrast, pseudocapacitive materials store ions through redox reactions with charge/discharge rates comparable to those of capacitors, holding the promise of serving as electrode materials in advanced electrochemical energy storage (EES) devices. Therefore, it is of vital importance to enhance pseudocapacitive responses of energy storage materials to obtain excellent energy and power densities at the same time. In this Review, we first present basic concepts and characteristics about pseudocapacitive behaviors for better guidance on material design researches. Second, we discuss several important and effective material design measures for boosting pseudocapacitive responses of materials to improve rate capabilities, which mainly include downsizing, heterostructure engineering, adding atom and vacancy dopants, expanding interlayer distance, exposing active facets, and designing nanosheets. Finally, we outline possible developing trends in the rational design of pseudocapacitive materials and EES devices toward high-performance energy storage.

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“…It is well known that the value of ΔG ads follows linear scaling relations since all the intermediates have a single bond between an O atom and the surface. 33 5a. The energy divergence is slightly less than the general 3.2 eV offset determined using the PBE exchange− correlation functional, 34 and closer to the optimal value of 2.46 eV.…”

Section: Resultsmentioning

confidence: 99%

V-Shaped RuO₂ Nanotwin Complex Defect Facilitation of OER Reaction

Zhao

Tang

2023

J. Phys. Chem. C

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RuO2 is one of the most active catalysts for the acidic oxygen evolution reaction (OER). As a first step in understanding the mechanism for V-shaped RuO2 nanotwin facilitation of the OER reaction, the relaxed atomic configuration and detailed partial density of states are determined using density-functional theory and are shown to dictate an upward shift of d- and p-band centers. The RuO2 101-nanotwin grain boundary (101-TGB), as the first ∑101 V-shaped structure constructed, reduces the distance between kinked Ru and its surrounding O atoms, which enhances p–d hybridization. The special structure properly regulates the value of ΔG *O–ΔG *OH and charge-transfer energy. In addition, with the introduction of transition-metal and oxygen vacancies, the degree of nanotwin dislocation increases, exhibiting positive effects on the improvement of surface catalytic activity. Regulating the synergistic effect of nanotwins and transition metals can thus be crucial in assisting the exploration of new, multiple, and excellent RuO2-based nanocatalyst materials.

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Probing the pseudocapacitance and energy-storage performance of RuO2 facets from first principles

Cited by 6 publications

References 38 publications

Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

Nanostructure and Advanced Energy Storage: Elaborate Material Designs Lead to High-Rate Pseudocapacitive Ion Storage

V-Shaped RuO₂ Nanotwin Complex Defect Facilitation of OER Reaction

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Probing the pseudocapacitance and energy-storage performance of RuO2 facets from first principles

Cited by 6 publications

References 38 publications

Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

Nanostructure and Advanced Energy Storage: Elaborate Material Designs Lead to High-Rate Pseudocapacitive Ion Storage

V-Shaped RuO2 Nanotwin Complex Defect Facilitation of OER Reaction

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Product

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V-Shaped RuO₂ Nanotwin Complex Defect Facilitation of OER Reaction