Jeffrey Greeley
Materials Science · Purdue University West Lafayette
Publications
294
Citations
22,045
Est. group size
~13
Recurring co-author estimate
Active years
24
Publishing since 2003
Jeffrey Greeley's research uses computational methods, especially first-principles quantum chemistry and machine learning, to understand and design catalysts for chemical and energy conversion reactions. His work spans heterogeneous catalysis (reactions occurring on solid surfaces), electrocatalysis for batteries and fuel cells, and the atomic-scale behavior of metal and metal-oxide surfaces. Students in this group would likely work on modeling surface reactions and catalyst stability using computational chemistry and data-driven approaches.
Publication output rose through 2020, then gradually declined and leveled off at a lower but steady rate over the past few years.
Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026
- Mercaptan-Mediated Ethylene Formation in Sulfur Oxidative Ethane Dehydrogenation on Iron Sulfide (FeS <sub>2</sub> ) Catalysts
ACS Catalysis · 2026
- Reconstructions on Disordered Surface Alloys: Strain-Minimizing First Principles Treatments for Heterogeneous Catalysis
The Journal of Physical Chemistry C · 2026
- Tribute to Jens K. Nørskov
The Journal of Physical Chemistry C · 2025
- Deep Learning for Computational Heterogeneous Catalysis: Fundamentals and Applications
Journal of the Indian Institute of Science · 2025
- First Principles Comparison of Surface-Mediated and Proton-Coupled Electron Transfer Mechanisms for the Formation of CH <sub>x</sub> Species in Electrocatalytic Reduction
ECS Meeting Abstracts · 2025
- Site-specific reactivity of stepped Pt surfaces driven by stress release
Nature · 2024
- Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity
ChemPhysChem · 2024
- Solvation Enthalpy Determination for Aqueous-Phase Reaction Adsorbates Using Ab Initio Molecular Dynamics-Based Structure Sampling
The Journal of Physical Chemistry C · 2024
- Disproportionation chemistry in K <sub>2</sub> PtCl <sub>4</sub> visualized at atomic resolution using scanning transmission electron microscopy
Science Advances · 2024
- A Combined First-Principles and Data-Driven Computational Framework to Analyze the Surface Structure, Composition, and Stability of Binary Alloy Catalysts
The Journal of Physical Chemistry C · 2024
- A combined first-principles and data-driven computational framework to analyze the surface structure, composition, and stability of binary alloy catalysts
ChemRxiv · 2024
- Origin of Stability and Activity Enhancements in Pt-Based Oxygen Reduction Reaction Catalysts Via Defect-Mediated Dopant Adsorption
ECS Meeting Abstracts · 2024
- Intrinsic Activity and Ni-O-Fe Catalytic Active Site in Ni-Based (Oxy)Hydroxides for the Oxygen Evolution Reaction
ECS Meeting Abstracts · 2024
- (Invited) OER Active Phases, Catalytic Mechanism and Reaction Centers of Ni (oxy)Hydroxide with and without Fe Impurities
ECS Meeting Abstracts · 2024
- Active Sites of 3d Transition Metal Oxyhydroxides for OER
ECS Meeting Abstracts · 2024
- ECS Meeting Abstracts×35
- ACS Catalysis×16
- The Journal of Physical Chemistry C×9
- Angewandte Chemie International Edition×7
- Angewandte Chemie×7
- Nicole J. LiBretto
Materials Science · Purdue University West Lafayette
- Seval Gündüz
Materials Science · The Ohio State University
- Conor T. Waldt
Materials Science · Purdue University West Lafayette
- Jeffery T. Miller
Materials Science · Purdue University West Lafayette
- Jeffrey T. Miller
Materials Science · Purdue University West Lafayette
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 20, 2026.
Claim or correct this profile