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Graeme Henkelman

the university of texas at austin

89H-index
465Paper Count
8.1WCitation Count
Published Papers 291
Publication Date
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Plasma-Enabled Active Site Regeneration for Selective Liquid Fuel Production across Catalyst Binding Regimes in CH4-CO2 Conversion
errACS Catalysis
IF13.1
err2026-07-01
err0
PREAI
errVaranasi Sai Subhankar; Jiefeng Diao; Caroline C. Leung; Zachary D. Feng; Sophia Gershman; Jonathan Steele; Michael Baldea; Graeme Henkelman; C. Buddie Mullins; Thomas C. Underwood
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Unraveling Water–Defect Coupled Degradation via Deuterium Isotope Labeling in Prussian Blue Analogue Cathodes for Long-Life Sodium-Ion Batteries
errAngewandte Chemie International Edition
IF16.9
err2026-05-20
err0
PREAI
errFangxin Ling; Jiefeng Diao; Yan-Ru Wang; Junyi Dai; Mingze Ma; Ling Li; Zhen Li; Jian Feng; Ruilin Bai; Nan Hu; Junpeng Sun; Hanyu Huo; Bin Ye; Xianhong Rui; Graeme Henkelman; Yu Yao; Yan Yu
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errSave
Chain-length-selective adsorption governs diffusion-limited dendrite growth mode in battery electrodes
errj. mater. chem. a
IF0
err2026-04-16
err0
errOAAI
errAakriti Aggarwal; Wenrui Chai; Graeme Henkelman; Kent J. X. Zheng
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errSave
Operando Observation of Inter-Particle Li+ Transport in Layered Bimetallic Sulfides for High-Rate Lithium-Sulfur Batteries
errAdvanced Materials
IF26.8
err2026-04-09
err0
PREAI
errLei Chen; Kaizhi Chen; Jing Yu; Dawei Yang; Yunxiao Wang; Canhuang Li; Yao-Jie Lei; Jie Zhang; Jirong Mou; Qianhong Gong; Wei Bi; Chao Yuan; Zhenyu Xiao; Ligang Xu; Jiefeng Diao; Mingxue Tang; Graeme Henkelman; Jordi Arbiol; Guangmin Zhou; Andreu Cabot; Wei-Hong Lai
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The effect of ion pairing on speciation and transport in ion exchange membranes at varying hydration levels: A four-state model
errJournal of Membrane Science
IF9
err2025-12-22
err0
PREAI
errAkhilesh Paspureddi; Zahra Bajalan; Mukul M. Sharma; Graeme Henkelman; Lynn E. Katz
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errSave
Application-specific machine-learned interatomic potentials: exploring the trade-off between DFT convergence; MLIP expressivity; and computational cost
errDigital Discovery
IF5.6
err2025-12-10
err0
errOAAI
errIlgar Baghishov; Jan Janssen; Graeme Henkelman; Danny Perez
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errSave
Phosphine and Arsine MOFs with Stabilized Diosmium(I) Carbonyl Sawhorse Pillars
errInorganic Chemistry
IF4.7
err2025-11-24
err0
PREAI
errSamuel K. Emslie; Benjamin Patterson; Ashley K. Archambeau; Adrienne H. Schumacher; R. Eric Sikma; Connor J. O’Dea; Serhii Vasylevskyi; Zachariah A. Page; Cynthia B. Powell; Graeme Henkelman; Gregory L. Powell; Simon M. Humphrey
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errSave
AlphaNet: scaling up local-frame-based neural network interatomic potentials
errnpj Computational Materials
IF11.9
err2025-11-17
err0
errOAAI
errBangchen Yin; Jiaao Wang; Weitao Du; Pengbo Wang; Penghua Ying; Haojun Jia; Zisheng Zhang; Yuanqi Du; Carla Gomes; Chenru Duan; Graeme Henkelman; Hai Xiao
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errSave
Unlocking the Potential of Phosphorus Anodes for Sodium-Ion Batteries via Tailored Reversible Na/Polyphosphide Chemistry
errAngewandte Chemie International Edition
IF16.9
err2025-10-10
err0
PREAI
errXin Guo; Shijian Wang; Jiaao Wang; Hong Gao; Zefu Huang; Weihong Lai; Wei Kong Pang; Jiangtao Qu; Mai H. Nguyen; Cheng-Jie Yang; Chung-Li Dong; Hao Liu; Graeme Henkelman; Michel Armand; Doron Aurbach; Guoxiu Wang
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errSave
Tunable Optical Properties and Enhanced Stability of Organic-Inorganic Hybrid Cu-Based Halide Thin Films for Advanced Anti-Counterfeiting Applications
errLASER & PHOTONICS REVIEWS
IF10
err2025-10-01
err0
PREAI
errRen, Yandong; Xuan, Zhen; Yang, Jiben; Chang, Jianbo; Jia, Yuntong; Yin, Xueai; Liu, Yonghao; Wang, Jia-ao; Henkelman, Graeme
errShare
errSave
Mitigating Surface Deactivation for N2O Abatement Using Plasma Activated Co-reactants
errACS Catalysis
IF13.1
err2025-07-30
err0
PREAI
errZachary D. Feng; Aston King; Jiefeng Diao; Caroline Leung; Hyunsik Kim; Hyunwoo Park; Graeme Henkelman; C. Buddie Mullins; Thomas C. Underwood
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errSave
Organoarsine Metal–Organic Framework as a Solid-State Ligand for Rhodium(I) Olefin Hydroformylation Catalysis
errJournal of the American Chemical Society
IF15.6
err2025-07-29
err0
PREAI
errVenkatesh Piradi; Wenrui Chai; Samuel K. Emslie; R. Eric Sikma; Chuning Zhang; Serhii Vasylevskyi; Graeme Henkelman; Simon M. Humphrey
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errSave
Ternary Potassium-Bismuth-Telluride Intermetallic Support Promotes Electrochemical Stability in Potassium Metal Anodes
errAngewandte Chemie International Edition
IF0
err2025-06-18
err0
PREAI
errRohit Raj; Yixian Wang; Dean Yen; Aditya Singla; Jiefeng Diao; Hongchang Hao; Varun R. Kankanallu; Bairav S. Vishnugopi; Mingyuan Ge; John Watt; Graeme Henkelman; Yu-chen Karen Chen-Wiegart; Partha P. Mukherjee; David Mitlin
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errSave
Controlling the Conductivity of Cyclo[8]pyrrole Polyiodide Cocrystals via Minor Substituent Group Changes
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-05-22
err0
PREAI
errYang, Yu-Dong; Leng, Mingwan; Zhang, Qian; Jin, Xingchen; Chau, Calvin V.; Yang, Jian; Vasylevskyi, Serhii; Henkelman, Graeme
errShare
errSave
Data-Driven Kinetic Reaction Networks for Separation Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-13
err0
PREAI
errLee, Jiyoung; Augustine, Logan J.; Henkelman, Graeme; Yang, Ping; Perez, Danny
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errSave
Readily Visualized Perfluorooctanoic Acid Detection Using a Small Molecule Chemosensor
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2025-03-23
err0
PREAI
errYang, Yu-Dong; Zhang, Qian; Jin, Xingchen; Chau, Calvin V.; Yang, Jian; Henkelman, Graeme; Chi, Xiaodong; Gong, Han-Yuan; Hooley, Richard J.; Sessler, Jonathan L.
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errSave
Enabling Long-Life All-Solid-State Sodium Metal Batteries via in situ Construction of a Stable Solid Electrolyte Interphase
errADVANCED FUNCTIONAL MATERIALS
IF19
err2025-03-18
err0
PREAI
errLing, FX; Diao, JF; Yao, Y; Bai, RL; Li, Z; Ma, MZ; Li, ZY; Huang, HJ; Zhu, SL; Rui, XH; Shao, Y; Henkelman, G; Yu, Y
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errSave
Sulfur Bridge Geometry Boosts Selective FeIV═O Generation for Efficient Fenton-Like Reactions
errADVANCED SCIENCE
IF14.1
err2025-03-05
err0
errOAAI
errJiang, XH; Guo, ZY; Xu, J; Pan, ZY; Miao, C; Chen, Y; Li, H; Oji, H; Cui, YT; Henkelman, G; Xu, XH; Zhu, LZ; Lin, DH
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errSave
Control of Two Solid Electrolyte Interphases at the Negative Electrode of an Anode-Free All Solid-State Battery based on Argyrodite Electrolyte
errADVANCED MATERIALS
IF0
err2025-01-06
err1
PREAI
errWang, YX; Raj, V; Naik, KG; Vishnugopi, BS; Cho, JY; Nguyen, M; Recker, EA; Su, YF; Celio, H; Dolocan, A; Page, ZA; Watt, J; Henkelman, G; Tu, QH; Mukherjee, PP; Mitlin, D
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Amorphous Carbon Monolayer: A van der Waals Interface for High-Performance Metal Oxide Semiconductor Devices
errACS NANO
IF16
err2024-12-31
err0
PREAI
errAkkili, VG; Yoon, J; Shin, K; Jeong, S; Moon, JY; Choi, JH; Kim, SI; Patil, AA; Aziadzo, F; Kim, J; Kim, S; Shin, DW; Wi, JS; Cho, HH; Park, JS; Kim, ET; Kim, DE; Heo, J; Henkelman, G; Novoselov, KS; Chung, CH; Lee, JH; Lee, Z; Lee, S
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Research Directions

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Co-authors
Cooperation Journals
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John B. Goodenough
H-index: 183 · Papers: 1.4K
A
Arumugam Manthiram
H-index: 168 · Papers: 1.3K
A
Allen J. Bard
H-index: 163 · Papers: 1.3K
G
Guoxiu Wang
H-index: 162 · Papers: 1.0K
K
Kostya S. Novoselov
H-index: 155 · Papers: 920
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