Influence of the confinement effect by a sandwiched subnanoreactor on the electrocatalytic performance for the nitrogen reduction reaction

Wang, Bingxue; Diao, Jiazheng; Fu, Qiang; Ma, Yuchen

doi:10.1016/j.apsusc.2024.159715

Applied Surface Science

2024

DOI: 10.1016/j.apsusc.2024.159715

|View full text |Cite

Influence of the confinement effect by a sandwiched subnanoreactor on the electrocatalytic performance for the nitrogen reduction reaction

Bingxue Wang,

Jiazheng Diao,

Qiang Fu

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 77 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Confinement Effects of Two‐Dimensional Surfaces on Water Adsorption and Dissociation over Pt(111)

Tiwari,

Tiwari

2024

ChemPhysChem

View full text Add to dashboard Cite

It has been established that the confined space created by stacking a two dimensional (2D) surface atop a metal catalyst serves as a nano‐reactor. According to recent research, when a graphene (Gr) overlayer encloses a catalyst from above, the activation barrier for the water dissociation reaction, a process with major industrial significance, decreases. In order to investigate how the effect of confinement varies among different two‐dimensional (2D) materials, we study the adsorption and dissociation barriers of water molecule on (111) under graphene, hexagonal boron nitride (h‐BN), and heptazine‐based graphitic carbon nitride (g‐C3N4) layers using density functional theory calculations. Our findings reveal that the strength of adsorption does not decrease consistently with a reduction in the height of the 2D overlayer. Furthermore, a smaller barrier is not always the consequence of poorer adsorption of the reactant. We also examine the effect of confinement on the shape of the reaction path, on the frequencies of vibrational modes, and on the rate constants derived using the harmonic transition state theory. Overall, all three 2D surfaces cause a decrease in barrier height and a weakening of adsorption, though to differing degrees due to a mix of mechanical, geometric and electronic variables.

show abstract

Confinement Effects of Two‐Dimensional Surfaces on Water Adsorption and Dissociation over Pt(111)

Tiwari,

Tiwari

2024

ChemPhysChem

View full text Add to dashboard Cite

show abstract

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.

Influence of the confinement effect by a sandwiched subnanoreactor on the electrocatalytic performance for the nitrogen reduction reaction

Cited by 1 publication

References 77 publications

Confinement Effects of Two‐Dimensional Surfaces on Water Adsorption and Dissociation over Pt(111)

Confinement Effects of Two‐Dimensional Surfaces on Water Adsorption and Dissociation over Pt(111)

Contact Info

Product

Resources

About