Evidence map›Paper›PMID 41042532›Full record

ArticleJournal of the American Chemical Society2025

An Experimental Benchmark for the Barrier Height of an On-Surface Reaction: Hydrogen Oxidation on Pt(332).

Florian Nitz, Stefan Hörandl, Michael Schwarzer, Theofanis Kitsopoulos, Daniel J Auerbach, Alec M Wodtke

Abstract read
In one paragraph

Article in Journal of the American Chemical Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Florian NitzInstitute for Physical Chemistry, Georg-August University of Goettingen, Tammannstraße 6, 37077 Goettingen, Germany.ORCID 0009-0000-1976-6039
Stefan HörandlInstitute for Physical Chemistry, Georg-August University of Goettingen, Tammannstraße 6, 37077 Goettingen, Germany.
Michael SchwarzerDepartment of Dynamics at Surfaces, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, 37077 Goettingen, Germany.
Theofanis KitsopoulosSchool of Mathematics and Natural Sciences, University of Southern Mississippi, Hattiesburg, Mississippi 39406, United States.ORCID 0000-0001-6228-1002
Daniel J AuerbachDepartment of Dynamics at Surfaces, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, 37077 Goettingen, Germany.
Alec M WodtkeInstitute for Physical Chemistry, Georg-August University of Goettingen, Tammannstraße 6, 37077 Goettingen, Germany.ORCID 0000-0002-6509-2183

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Developing predictive theories for the rates of reactions between surface-bound molecules is a central challenge to understanding many important phenomena including: heterogeneous catalysis, electrocatalysis, nanofabrication, and corrosion. To meet this challenge, chemically accurate benchmarks to test theoretically derived reaction rates and barrier heights are essential, but few exist. Here, we determine from experiment an accurate zero-point-energy corrected barrier height, 0.76 ± 0.03, for the reaction O* + H* → OH* occurring at atomic Pt B-type step sites, the rate limiting step of hydrogen oxidation on Pt. This experimental benchmark agrees with density functional theory (DFT) predictions made at the level of the generalized gradient approximation (GGA) for five different functionals, exhibiting a mean absolute error (MAE) of 25 meV. This is far better agreement than commonly expected for this level of theory. We speculate that this level of agreement may be a common feature for reactions that involve only species adsorbed on surfaces.

Identifiers

PMID41042532
PMCPMC12532188

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.