- Research Article
- 10.1021/acs.jpclett.6c00357
Exploring Ortho–Para Hydrogen Conversion CatalystsBased on Surface Electric Field Gradient
- Mar 12, 2026
- The Journal of Physical Chemistry Letters
- Hiroshi Mizoguchi + 5 more +5
According to ourhypothesis that ortho (O) to para (P) hydrogenconversion is promoted by an inhomogeneous electric field on the surfaceof the insulating oxide with high ionicity, we searched for OP conversioncatalysts using lattice energy as an indicator of high ionicity. Asa result, we found new oxide catalysts, including SiO2,γ-Al2O3, and CeO2 combinedwith 3d late transition metal cocatalysts. The fraction of para-H2 on 5%Fe-loaded SiO2 powder reached 50% (equilibriumvalue at 77 K) within 20 min. The activities of these catalysts aresignificantly superior to those of benchmark catalysts, such as Mn3O4. The cocatalyst nanoparticles of 1–12nm size dispersed on the oxide catalysts adsorb hydrogen well withoutdissociating it. The nuclear spin state of ortho-H2 adsorbedat the asymmetric site (nonzero electric field gradient) of the oxidesurface is thermally excited by nuclear quadrupole interaction, andthe OP conversion rate is increased by nuclear spin relaxation.
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