Mechanistic Insights into Vacancy-Driven Activation and Dissociation of Hydrogen Peroxide on Ti₃C₂O₂ MXene in Water

Masoud Darvish Ganji; Hyunseok Ko

doi:10.1039/d5na00962f

January 1, 2026Nanoscale AdvancesOpen Access

Mechanistic Insights into Vacancy-Driven Activation and Dissociation of Hydrogen Peroxide on Ti₃C₂O₂ MXene in Water

View Full Paper

Ask AI

Bookmark

Share

Key Points

The aim is to understand how hydrogen peroxide is activated and dissociates at the interface of Ti₃C₂O₂ MXene in water.
Utilized advanced electronic analyses
Applied ab initio molecular dynamics simulations
Employed machine-learned force fields
Demonstrated effective vacancy-driven activation of hydrogen peroxide
Revealed insights into solid-liquid interface behavior
Highlighted potential applications in energy conversion and environmental cleanup

Implication

This work investigates hydrogen peroxide dissociation in water using advanced electronic analyses, suggesting insights for energy and environmental applications.

Abstract

Comprehending peroxide activation at solid-liquid interfaces is essential for energy conversion, environmental cleanup, and catalysis. In this work, we use advanced electronic analyses, ab initiomolecular dynamics (AIMD)-driven machine-learned force fields...

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Ganji et al. (2026) studied this question.

synapsesocial.com/papers/69d5f13674eaea4b11a7acf3 https://doi.org/10.1039/d5na00962f

View Full Paper

Ask AI

Bookmark

Share

Mechanistic Insights into Vacancy-Driven Activation and Dissociation of Hydrogen Peroxide on Ti₃C₂O₂ MXene in Water

Key Points

Implication

Abstract

Discussion

Cite This Study

Mechanistic Insights into Vacancy-Driven Activation and Dissociation of Hydrogen Peroxide on Ti₃C₂O₂ MXene in Water

Key Points

Implication

Abstract

Discussion

Cite This Study

Keep reading

More related papers

More from Nanoscale Advances

Keep reading

More related papers

More from Nanoscale Advances