2024
DOI: 10.3390/coatings14060657
|View full text |Cite
|
Sign up to set email alerts
|

Non-Metal Doping as a First-Principles Study for Promoting the Hydrogen Evolution of Two-Dimensional Electride Y2C Electrocatalysts

Chaoqun Li,
Ningning Su,
Yuqiang Li

Abstract: The two-dimensional electrochemical Y2C’s low work function and strong charge transfer qualities limit its applicability in catalysis due to its poor catalytic activity. In this paper, based on density functional theory calculations, we use two techniques to increase the HER catalytic activity of the Y2C monolayer: substitution doping (XC) and adsorption doping (XT) of non-metal (X = N, P, O, S, and F). The results showed that the absolute values of hydrogen free energies (ΔGH*) of the substitutional dopants o… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 57 publications
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?