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Updated: Jun 29, 2026

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks
Published on: March 8, 2024
Near neutrality of an oxygen molecule adsorbed on a Pt(111) surface
Liang Qi1, Xiaofeng Qian, Ju Li
1Department of Materials Science, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.
Abstract:
The charge state of paramagnetic or nonmagnetic O2 adsorbed on a Pt(111) surface is analyzed using density functional theory. We find no significant charge transfer between Pt and the two adsorbed molecular precursors, suggesting these oxygen reduction reaction (ORR) intermediates are nearly neutral, and changes in magnetic moment come from self adjustment of O2 spin-orbital occupations. Our findings support a greatly simplified model of electrocatalyzed ORR, and also point to more subtle pictures of adsorbates or impurities interacting with crystal than literal integer charge transfers.
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The elements in group 18 are noble gases (helium, neon, argon, krypton, xenon, and radon). They earned the name “noble” because they were assumed to be nonreactive since they have filled valence shells. In 1962, Dr. Neil Bartlett at the University of British Columbia proved this assumption to be false.