Graeme Henkelman

The University of Texas at Austin — United States

Materials Science · Physical Sciences

88h-index80.7kcitations463works9.92yr avg
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Research Topics

Catalytic Processes in Materials Science(112), Electrocatalysts for Energy Conversion(97), Advanced Battery Materials and Technologies(83), Advancements in Battery Materials(77), Advanced Chemical Physics Studies(55)

Publications463 total

Interfacial electric field engineering in Ni-ZrC heterostructures for high-efficiency zinc-air batteries
Science China Chemistry·2026Open Access
The effect of ion pairing on speciation and transport in ion exchange membranes at varying hydration levels: A four-state model
Journal of Membrane Science·2025
Chain-Length-Selective Adsorption Governs Diffusion-Limited Dendrite Growth Mode in Battery Electrodes
2025
Phosphine and Arsine MOFs with Stabilized Diosmium(I) Carbonyl Sawhorse Pillars
Inorganic Chemistry·2025
Application-specific machine-learned interatomic potentials: exploring the trade-off between DFT convergence, MLIP expressivity, and computational cost
Digital Discovery·2025Open Access
AlphaNet: scaling up local-frame-based neural network interatomic potentials
npj Computational Materials·2025· 6 citedOpen Access
Tunable Optical Properties and Enhanced Stability of Organic‐Inorganic Hybrid Cu‐Based Halide Thin Films for Advanced Anti‐Counterfeiting Applications
Laser & Photonics Review·2025· 2 cited
Unlocking the Potential of Phosphorus Anodes for Sodium‐Ion Batteries via Tailored Reversible Na/Polyphosphide Chemistry
Angewandte Chemie International Edition·2025· 1 cited
Unlocking the Potential of Phosphorus Anodes for Sodium‐Ion Batteries via Tailored Reversible Na/Polyphosphide Chemistry
Angewandte Chemie·2025
Mitigating Surface Deactivation for N<sub>2</sub>O Abatement Using Plasma Activated Co-reactants
ACS Catalysis·2025
Plasma-Enabled Active Site Regeneration for Selective Liquid Fuel Production across Catalyst Binding Regimes in CH4-CO2 Conversion
2025
Organoarsine Metal–Organic Framework as a Solid-State Ligand for Rhodium(I) Olefin Hydroformylation Catalysis
Journal of the American Chemical Society·2025· 3 cited
Learning from Metal Nanocrystal Heterogeneity: A Need for Information-Rich and High-Throughput Single-Nanocrystal Measurements
ACS Nanoscience Au·2025· 1 citedOpen Access
Application-specific machine-learned interatomic potentials: exploring the trade-off between DFT convergence, MLIP expressivity, and computational cost
arXiv (Cornell University)·2025Open Access
Ternary Potassium‐Bismuth‐Telluride Intermetallic Support Promotes Electrochemical Stability in Potassium Metal Anodes
Angewandte Chemie International Edition·2025· 5 citedOpen Access
Ternary Potassium‐Bismuth‐Telluride Intermetallic Support Promotes Electrochemical Stability in Potassium Metal Anodes
Angewandte Chemie·2025
Controlling the Conductivity of Cyclo[8]pyrrole Polyiodide Cocrystals via Minor Substituent Group Changes
Journal of the American Chemical Society·2025· 2 cited
Data-Driven Kinetic Reaction Networks for Separation Chemistry
Journal of Chemical Theory and Computation·2025· 1 citedOpen Access
Inside Back Cover: Readily Visualized Perfluorooctanoic Acid Detection Using a Small Molecule Chemosensor (Angew. Chem. Int. Ed. 19/2025)
Angewandte Chemie International Edition·2025Open Access
Inside Back Cover: Readily Visualized Perfluorooctanoic Acid Detection Using a Small Molecule Chemosensor (Angew. Chem. 137/2025)
Angewandte Chemie·2025
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Frequent Co-authors

Hao Li(10), Hannes Jónsson(9), Penghao Xiao(6), Daniel Sheppard(5), Wenjie Tang(4), Kihyun Shin(4), Andri Arnaldsson(3), John B. Goodenough(3), Keith J. Stevenson(3), Jiang Xu(3), Gregory V. Lowry(3), Ieuan D. Seymour(3), Chang Liu(3), Junsheng Chen(3), Zixun Yu(3), Wei Li(3), Yuan Chen(3), C. Buddie Mullins(3), Liang Zhang(3), Edward Sanville(2)