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Updated: Jun 4, 2026
10:52
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Water formation by surface O3 hydrogenation
C Romanzin1, S Ioppolo, H M Cuppen
1LPMAA, Université Pierre et Marie Curie, Paris, France.
The Journal of Chemical Physics
|March 3, 2011
Summary
Solid ozone hydrogenation is a key pathway for water formation in space. Experiments confirm this route, explaining water
Area of Science:
- Astrochemistry
- Solid-state chemistry
- Interstellar medium
Background:
- Water abundance in space is explained by three proposed solid-state formation routes.
- Previous studies focused on atomic oxygen (O + H) and molecular oxygen (O(2) + H) hydrogenation.
- The ozone (O(3) + H) route required further quantification, especially for intermediate reactions.
Purpose of the Study:
- To investigate the O(3) + H reaction channel for solid water formation.
- To quantify the roles of OH + H and OH + H(2) in this process.
- To explore temperature and H/D-atom flux dependencies and isotope effects.
Main Methods:
- Solid O(3) ice hydrogenation/deuteration experiments at astronomical temperatures.
- Reflection absorption infrared spectroscopy (RAIRS) for ice formation detection.
- Systematic variation of temperature and H/D-atom flux.
Main Results:
- Experimental evidence for H(2)O/D(2)O and H(2)O(2)/D(2)O(2) ice formation from solid O(3) hydrogenation.
- Ozone mobility and isotope effects were studied.
- The O(3) + H channel interacts with O and O(2) hydrogenation schemes.
- OH + H(2) (and OH + H) plays a significant intermediate role.
Conclusions:
- Solid ozone hydrogenation is a viable and potentially efficient channel for interstellar water formation.
- The efficiency of O(3) + H aligns with the non-detection of solid ozone in dense molecular clouds.
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