Peijun Hu

47PUBLICATIONS
75CO-AUTHORS
Computational chemistryChemical and thermal processes in energy and combustionMetal cluster chemistrySemi- and unsupervised learningSurface properties of condensed matter
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Publications (47)

|Oct 27, 2026
Accessing Free-Energy Barriers from Unbiasing Dynamics: Delocalized Transition States in Heterogeneous Catalysis.

|Sep 18, 2026
Intermolecular Interaction-Facilitated Unimolecular Dehydration of Cyclohexanol on Rutile TiO2(110) Surface.

|Sep 09, 2026
Activity-Stability Volcano in Supported Electrocatalysis: Single Entity Correlation of Au25 Nanoclusters Between Oxygen Reduction Activity and Metal-Support Interaction.

|Jun 26, 2026
Smarter Data: Rethinking Data Generation for Machine Learning Potentials in Heterogeneous Catalysis.

|May 15, 2026
The actual Co(10-12) surface structure and CO activation.

|Apr 15, 2026
Pd-N-C shelled Pd nanoparticle catalysts for high-performance hydrogen peroxide electrosynthesis.

Jiao Dong, Zixiang Su, Yanyan Jia

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Frequent Collaborators

14 joint publications

Haifeng Wang

4 joint publications

Jiayan Xu

4 joint publications

Xiao-Ming Cao

3 joint publications

Sheng Dai