Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of graphene

Aziz, Alex; Yu, Wei; Tang, Rui; Crespo-Otero, Rachel; Tommaso, Devis Di; Nishihara, Hirotomo

doi:10.26599/emd.2024.9370035

Energy Materials and Devices

2024

DOI: 10.26599/emd.2024.9370035

|View full text |Cite

Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of graphene

Alex Aziz,

Wei Yu,

Rui Tang

et al.

Abstract: Assessing the effects of structural defects and substitutional doping on the potential of zero charge (PZC) and capacitance curves of graphene using joint density functional theory.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

2025

Publication Types

Select...

Article2

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 85 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Linking D‐Band Center Modulation with Rapid Reversible Sulfur Conversion Kinetics via Structural Engineering of VS₂

Xia,

Liu,

Chen

et al. 2024

Small

View full text Add to dashboard Cite

The rapid catalytic conversion toward polysulfides is considered to be an advantageous approach to boost the reaction kinetics and inhibit the shuttle effect in lithium‐sulfur (Li─S) batteries. However, the prediction of high catalytic activity Li─S catalysts has become challenging given the carelessness in the relationship between important electronic characteristics of catalysts and catalytic activity. Herein, the relationships between the D‐band regulation of catalysts with reaction kinetics toward polysulfides are described. Through the combination of experimental and theoretical analysis, the opportune upward shift of the D‐band center results in a favorable interaction with polysulfides, controlling the adsorption behavior of polysulfides. In addition, the electron regulation achieved by moderately moving up the D‐band center further reduces the reaction energy barrier through hybridization with polysulfides. Based on this, a composite catalyst Mo doped VS2/rGO as a host material is proposed, which provides impressive long‐term cycling stability and superior rate performance. This fundamental knowledge of the inherent connection between the D‐band center of the catalyst and the reaction Kinetics of polysulfides offers a rationale for the development of the Li─S catalyst and the modification of its activity.

show abstract

Linking D‐Band Center Modulation with Rapid Reversible Sulfur Conversion Kinetics via Structural Engineering of VS₂

Xia,

Liu,

Chen

et al. 2024

Small

View full text Add to dashboard Cite

show abstract

Cascade degradation and electrocatalytic upcycling of waste poly(ethylene terephthalate) to valued products

Li,

Jiang,

Kou

et al. 2025

Nano Research

View full text Add to dashboard Cite

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of graphene

Abstract: Assessing the effects of structural defects and substitutional doping on the potential of zero charge (PZC) and capacitance curves of graphene using joint density functional theory.

Cited by 2 publications

References 85 publications

Linking D‐Band Center Modulation with Rapid Reversible Sulfur Conversion Kinetics via Structural Engineering of VS₂

Linking D‐Band Center Modulation with Rapid Reversible Sulfur Conversion Kinetics via Structural Engineering of VS₂

Cascade degradation and electrocatalytic upcycling of waste poly(ethylene terephthalate) to valued products

Contact Info

Product

Resources

About