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Updated: Aug 5, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

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Published on: April 12, 2019

H2O2-Driven Sulfate Formation at Air-Water Interfaces: Stepwise Mechanism and Accelerated Kinetics

Yuchen Zhang1, Xiaohua Yang1, Jinkai Gu1

  • 1State Key Laboratory of Environment Characteristics and Effects for Near-space, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing100081, China.

Environmental Science & Technology
|August 4, 2026
PubMed
Summary

Hydrogen peroxide (H2O2) drives sulfate production in fine particulate matter (PM2.5). This study reveals the air-water interface accelerates this process via a specific reaction pathway, crucial for atmospheric models.

Keywords:
H2O2 oxidationSO2 conversionelectric fieldpartial solvationreaction mechanismsulfate aerosols

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