Graeme A Henkelman (Graeme Henkelman)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 70

Top Topics

Reduced Graphene Oxide

Highly Efficient

Hydrogen Peroxide

Molecular Dynamics

Top Venues

Journal of the American Chemical Society

Nature communications

Advanced materials (Deerfield Beach, Fla.)

This page only lists publications with an associated author ORCID identifier.

Publications

Rinish Reddy Vaidyula, Mai H Nguyen, Jason A Weeks, Yixian Wang, Ziqing Wang, Kenta Kawashima, Austin G Paul-Orecchio, Hugo Celio, Andrei Dolocan, Graeme A Henkelman, Charles Buddie Mullins
Binary Solvent Induced Stable Interphase Layer for Ultra-Long Life Sodium Metal Batteries. Advanced materials (Deerfield Beach, Fla.) (2024)
Caleb Gyan-Barimah, Jagannath Sai Pavan Mantha, Ha-Young Lee, Yi Wei, Cheol-Hwan Shin, Muhammad Irfansyah Maulana, Junki Kim, Graeme A Henkelman, Jong-Sung Yu
High vacancy formation energy boosts the stability of structurally ordered PtMg in hydrogen fuel cells. Nature communications 15 (1) (2024)
Jacob P Troutman, Jagannath Sai Pavan Mantha, Hao Li, Graeme A Henkelman, Simon M Humphrey, Charles J Werth
Tuning the Selectivity of Nitrate Reduction via Fine Composition Control of RuPdNP Catalysts. Small (Weinheim an der Bergstrasse, Germany) 20 (26) (2024)
Yiming Zhu, Jiaao Wang, Toshinari Koketsu, Matthias Kroschel, Jin-Ming Chen, Su-Yang Hsu, Graeme A Henkelman, Zhiwei Hu, Peter Strasser, Jiwei Ma
Author Correction: Iridium single atoms incorporated in Co 3 O 4 efficiently catalyze the oxygen evolution in acidic conditions. Nature communications 15 (1) (2024)
Kyung Tae Kim, Graeme A Henkelman, Lynn E Katz, Charles J Werth
New Insights into Calcite Dissolution Mechanisms under Water, Proton, or Carbonic Acid-Dominated Conditions. Environmental science & technology 58 (26) (2024)
Yu-Dong Yang, Qian Zhang, Lhoussain Khrouz, Calvin V Chau, Jian Yang, Yuying Wang, Christophe Bucher, Graeme A Henkelman, Nam Chul Kim, Jonathan L Sessler
Chemically Mediated Artificial Electron Transport Chain. ACS central science 10 (6) (2024)
Caleb Gyan-Barimah, Jagannath Sai Pavan Mantha, Ha-Young Lee, Yi Wei, Cheol-Hwan Shin, Muhammad Irfansyah Maulana, Junki Kim, Graeme A Henkelman, Jong-Sung Yu
High vacancy formation energy boosts the stability of structurally ordered PtMg in hydrogen fuel cells. Nature communications 15 (1) (2024)
Caleb Gyan-Barimah, Jagannath Sai Pavan Mantha, Ha-Young Lee, Yi Wei, Cheol-Hwan Shin, Muhammad Irfansyah Maulana, Junki Kim, Graeme A Henkelman, Jong-Sung Yu
High vacancy formation energy boosts the stability of structurally ordered PtMg in hydrogen fuel cells. Nature communications 15 (1) (2024)
Rinish Reddy Vaidyula, Mai H Nguyen, Jason A Weeks, Yixian Wang, Ziqing Wang, Kenta Kawashima, Austin G Paul-Orecchio, Hugo Celio, Andrei Dolocan, Graeme A Henkelman, Charles Buddie Mullins
Binary Solvent Induced Stable Interphase Layer for Ultra-Long Life Sodium Metal Batteries. Advanced materials (Deerfield Beach, Fla.) 36 (24) (2024)
Zichen Song, Jian Han, Graeme A Henkelman, Lei Li
Charge-Optimized Electrostatic Interaction Atom-Centered Neural Network Algorithm. Journal of chemical theory and computation (2024)
Zichen Song, Jian Han, Graeme A Henkelman, Lei Li
Charge-Optimized Electrostatic Interaction Atom-Centered Neural Network Algorithm. Journal of chemical theory and computation 20 (5) (2024)
Ziqing Wang, Jia-Ao Wang, Kenta Kawashima, Zonghang Liu, Graeme A Henkelman, Charles Buddie Mullins
Mass Transfer Limitation within Molecular Crowding Electrolyte Reorienting (100) and (101) Texture for Dendrite-Free Zinc Metal Batteries. Angewandte Chemie (International ed. in English) (2024)
Ziqing Wang, Jia-Ao Wang, Kenta Kawashima, Zonghang Liu, Graeme A Henkelman, Charles Buddie Mullins
Mass Transfer Limitation within Molecular Crowding Electrolyte Reorienting (100) and (101) Texture for Dendrite-Free Zinc Metal Batteries. Angewandte Chemie (International ed. in English) 63 (34) (2024)
Jacob P Troutman, Jagannath Sai Pavan Mantha, Hao Li, Graeme A Henkelman, Simon M Humphrey, Charles J Werth
Tuning the Selectivity of Nitrate Reduction via Fine Composition Control of RuPdNP Catalysts. Small (Weinheim an der Bergstrasse, Germany) 20 (26) (2024)
Yu-Dong Yang, Qian Zhang, Lhoussain Khrouz, Calvin V Chau, Jian Yang, Yuying Wang, Christophe Bucher, Graeme A Henkelman, Nam Chul Kim, Jonathan L Sessler
Chemically Mediated Artificial Electron Transport Chain. ACS central science 10 (6) (2024)
Kyung Tae Kim, Graeme A Henkelman, Lynn E Katz, Charles J Werth
New Insights into Calcite Dissolution Mechanisms under Water, Proton, or Carbonic Acid-Dominated Conditions. Environmental science & technology (2024)
Rinish Reddy Vaidyula, Mai H Nguyen, Jason A Weeks, Yixian Wang, Ziqing Wang, Kenta Kawashima, Austin G Paul-Orecchio, Hugo Celio, Andrei Dolocan, Graeme A Henkelman, Charles Buddie Mullins
Binary Solvent Induced Stable Interphase Layer for Ultra-Long Life Sodium Metal Batteries. Advanced materials (Deerfield Beach, Fla.) (2024)
Jacob P Troutman, Jagannath Sai Pavan Mantha, Hao Li, Graeme A Henkelman, Simon M Humphrey, Charles J Werth
Tuning the Selectivity of Nitrate Reduction via Fine Composition Control of RuPdNP Catalysts. Small (Weinheim an der Bergstrasse, Germany) (2024)
Yiming Zhu, Jiaao Wang, Toshinari Koketsu, Matthias Kroschel, Jin-Ming Chen, Su-Yang Hsu, Graeme A Henkelman, Zhiwei Hu, Peter Strasser, Jiwei Ma
Author Correction: Iridium single atoms incorporated in Co 3 O 4 efficiently catalyze the oxygen evolution in acidic conditions. Nature communications 15 (1) (2024)
Jason A Weeks, James N Burrow, Jiefeng Diao, Austin G Paul-Orecchio, Hrishikesh Srinivasan, Rinish Reddy Vaidyula, Andrei Dolocan, Graeme A Henkelman, Charles Buddie Mullins
In Situ Engineering of Inorganic-Rich Solid Electrolyte Interphases via Anion Choice Enables Stable, Lithium Anodes. Advanced materials (Deerfield Beach, Fla.) (2023)
Hao Zhang, Jiefeng Diao, Mengzheng Ouyang, Hossein Yadegari, Mingxuan Mao, Mengnan Wang, Graeme A Henkelman, Fang Xie, D Jason Riley
Heterostructured Core-Shell Ni-Co@Fe-Co Nanoboxes of Prussian Blue Analogues for Efficient Electrocatalytic Hydrogen Evolution from Alkaline Seawater. ACS catalysis 13 (2) (2023)
Hao Zhang, Jiefeng Diao, Mengzheng Ouyang, Hossein Yadegari, Mingxuan Mao, Mengnan Wang, Graeme A Henkelman, Fang Xie, D Jason Riley
Heterostructured Core-Shell Ni-Co@Fe-Co Nanoboxes of Prussian Blue Analogues for Efficient Electrocatalytic Hydrogen Evolution from Alkaline Seawater. ACS catalysis 13 (2) (2023)
Xiwen Chi, Malin Li, Xiao Chen, Jun Xu, Xin Yin, Shanghua Li, Ziyue Jin, Zhaodi Luo, Xingxing Wang, Dechen Kong, Meng Han, Ji-Jing Xu, Zonghang Liu, Donghai Mei, Jia-Ao Wang, Graeme A Henkelman, Jihong Yu
Enabling High-Performance All-Solid-State Batteries via Guest Wrench in Zeolite Strategy. Journal of the American Chemical Society (2023)
Yiming Zhu, Jiaao Wang, Toshinari Koketsu, Matthias Kroschel, Jin-Ming Chen, Su-Yang Hsu, Graeme A Henkelman, Zhiwei Hu, Peter Strasser, Jiwei Ma
Iridium single atoms incorporated in Co 3 O 4 efficiently catalyze the oxygen evolution in acidic conditions. Nature communications 13 (1) (2022)
Yiming Zhu, Jiaao Wang, Toshinari Koketsu, Matthias Kroschel, Jin-Ming Chen, Su-Yang Hsu, Graeme A Henkelman, Zhiwei Hu, Peter Strasser, Jiwei Ma
Iridium single atoms incorporated in Co 3 O 4 efficiently catalyze the oxygen evolution in acidic conditions. Nature communications 13 (1) (2022)
Dawei Yang, Mengyao Li, Xuejiao Zheng, Xu Han, Chaoqi Zhang, Jordi Jacas Biendicho, Jordi Llorca, Jiaao Wang, Hongchang Hao, Junshan Li, Graeme A Henkelman, Jordi Arbiol, Joan Ramon Morante, David Mitlin, Shu-Lei Chou, Andreu Cabot
Phase Engineering of Defective Copper Selenide toward Robust Lithium-Sulfur Batteries. ACS nano 16 (7) (2022)
Yixian Wang, Yijie Liu, Mai Nguyen, Jaeyoung Cho, Naman Katyal, Bairav S Vishnugopi, Hongchang Hao, Ruyi Fang, Nan Wu, Pengcheng Liu, Partha P Mukherjee, Jagjit Nanda, Graeme A Henkelman, John Watt, David Mitlin
Stable Anode-Free All-Solid-State Lithium Battery through Tuned Metal Wetting on the Copper Current Collector. Advanced materials (Deerfield Beach, Fla.) (2022)
Richard B Garza, Jiyoung Lee, Mai H Nguyen, Andrew Garmon, Danny Perez, Meng Li, Judith C Yang, Graeme A Henkelman, Wissam A Saidi
Atomistic Mechanisms of Binary Alloy Surface Segregation from Nanoseconds to Seconds Using Accelerated Dynamics. Journal of chemical theory and computation 18 (7) (2022)
James N Burrow, Ryan A Ciufo, Lettie A Smith, Yu Wang, David C Calabro, Graeme A Henkelman, Charles Buddie Mullins
Calcium Poly(Heptazine Imide): A Covalent Heptazine Framework for Selective CO 2 Adsorption. ACS nano 16 (4) (2022)
Chang Liu, Fei Liu, Hao Li, Junsheng Chen, Jingyuan Fei, Zixun Yu, Ziwen Yuan, Chaojun Wang, Huiling Zheng, Zongwen Liu, Mei-Ying Xu, Graeme A Henkelman, Li Wei, Yuan Chen
One-Dimensional van der Waals Heterostructures as Efficient Metal-Free Oxygen Electrocatalysts. ACS nano 15 (2) (2021)
R Eric Sikma, Naman Katyal, Su-Kyung Lee, Joseph W Fryer, Catherine G Romero, Samuel K Emslie, Elinor L Taylor, Vincent M Lynch, Jong-San Chang, Graeme A Henkelman, Simon M Humphrey
Low-Valent Metal Ions as MOF Pillars: A New Route Toward Stable and Multifunctional MOFs. Journal of the American Chemical Society 143 (34) (2021)
Zhen Cao, Hao Li, Gregory V Lowry, Xiaoyang Shi, Xiangcheng Pan, Xinhua Xu, Graeme A Henkelman, Jiang Xu
Unveiling the Role of Sulfur in Rapid Defluorination of Florfenicol by Sulfidized Nanoscale Zero-Valent Iron in Water under Ambient Conditions. Environmental science & technology 55 (4) (2021)
Ke Huang, Kihyun Shin, Graeme A Henkelman, Richard M Crooks
Correlating Surface Structures and Electrochemical Activity Using Shape-Controlled Single-Pt Nanoparticles. ACS nano (2021)
Hsin-Che Lu, Naman Katyal, Graeme A Henkelman, Delia J Milliron
Controlling the Shape Anisotropy of Monoclinic Nb12O29 Nanocrystals Enables Tunable Electrochromic Spectral Range. Journal of the American Chemical Society 143 (38) (2021)
Yixian Wang, Hui Dong, Naman Katyal, Hongchang Hao, Pengcheng Liu, Hugo Celio, Graeme A Henkelman, John Watt, David Mitlin
A Sodium-Antimony-Telluride Intermetallic Allows Sodium-Metal Cycling at 100% Depth of Discharge and as an Anode-Free Metal Battery. Advanced materials (Deerfield Beach, Fla.) (2021)
Chang Liu, Hao Li, Junsheng Chen, Zixun Yu, Qiang Ru, Shuzhou Li, Graeme A Henkelman, Li Wei, Yuan Chen
3d Transition-Metal-Mediated Columbite Nanocatalysts for Decentralized Electrosynthesis of Hydrogen Peroxide. Small (Weinheim an der Bergstrasse, Germany) 17 (13) (2021)
Qiulin Chen, Hao Li, Melissa L Meyerson, Rodrigo Rodriguez, Kenta Kawashima, Jason A Weeks, Hohyun Sun, Qingshui Xie, Jie Lin, Graeme A Henkelman, Adam Heller, Dong-Liang Peng, Charles Buddie Mullins
Li-Zn Overlayer to Facilitate Uniform Lithium Deposition for Lithium Metal Batteries. ACS applied materials & interfaces 13 (8) (2021)
Muhammad Kashif Aslam, Ieuan D Seymour, Naman Katyal, Sha Li, Tingting Yang, Shu-Juan Bao, Graeme A Henkelman, Maowen Xu
Metal chalcogenide hollow polar bipyramid prisms as efficient sulfur hosts for Na-S batteries. Nature communications 11 (1) (2020)
Zhu-Lin Xie, Wenrui Chai, Spencer A Kerns, Graeme A Henkelman, Michael J Rose
Bioinspired CNP Iron(II) Pincers Relevant to [Fe]-Hydrogenase (Hmd): Effect of Dicarbonyl versus Monocarbonyl Motifs in H2 Activation and Transfer Hydrogenation. Inorganic chemistry 59 (4) (2020)
Hsin-Che Lu, Sandeep Ghosh, Naman Katyal, Vikram S Lakhanpal, Ioana R Gearba-Dolocan, Graeme A Henkelman, Delia J Milliron
Synthesis and Dual-Mode Electrochromism of Anisotropic Monoclinic Nb12O29 Colloidal Nanoplatelets. ACS nano 14 (8) (2020)
Ryan A Ciufo, Graeme A Henkelman
Embedded atom method potential for hydrogen on palladium surfaces. Journal of molecular modeling 26 (12) (2020)
Chang Liu, Hao Li, Fei Liu, Junsheng Chen, Zixun Yu, Ziwen Yuan, Chaojun Wang, Huiling Zheng, Graeme A Henkelman, Li Wei, Yuan Chen
Intrinsic Activity of Metal Centers in Metal-Nitrogen-Carbon Single-Atom Catalysts for Hydrogen Peroxide Synthesis. Journal of the American Chemical Society 142 (52) (2020)
Junpeng He, Kanchan Aggarwal, Naman Katyal, Shichao He, Edward Chiang, Samuel G Dunning, Joseph E Reynolds, Alexander Steiner, Graeme A Henkelman, Emily L Que, Simon M Humphrey
Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1. Journal of the American Chemical Society 142 (14) (2020)
Jocelyn T L Gamler, Kihyun Shin, Hannah M Ashberry, Yifan Chen, Sandra L A Bueno, Yawen Tang, Graeme A Henkelman, Sara E Skrabalak
Intermetallic Pd3Pb nanocubes with high selectivity for the 4-electron oxygen reduction reaction pathway. Nanoscale 12 (4) (2020)
Qing Chen, Yi Pei, Houwen Chen, Yan Song, Liang Zhen, Cheng-Yan Xu, Penghao Xiao, Graeme A Henkelman
Highly reversible oxygen redox in layered compounds enabled by surface polyanions. Nature communications 11 (1) (2020)
Jiang Xu, Astrid Avellan, Hao Li, Elizabeth A Clark, Graeme A Henkelman, Ralf Kaegi, Gregory V Lowry
Iron and Sulfur Precursors Affect Crystalline Structure, Speciation, and Reactivity of Sulfidized Nanoscale Zerovalent Iron. Environmental science & technology 54 (20) (2020)
Jiang Xu, Astrid Avellan, Hao Li, Xitong Liu, Vincent S Noel, Zimo Lou, Yan Wang, Ralf Kaegi, Graeme A Henkelman, Gregory V Lowry
Sulfur Loading and Speciation Control the Hydrophobicity, Electron Transfer, Reactivity, and Selectivity of Sulfidized Nanoscale Zerovalent Iron. Advanced materials (Deerfield Beach, Fla.) 32 (17) (2020)
Harrison D Root, Daniel N Mangel, James T Brewster Ii, Hadiqa Zafar, Adam Samia, Graeme A Henkelman, Jonathan L Sessler
Amethyrin-type expanded porphyrins that display anti-aromatic character upon protonation. Chemical communications (Cambridge, England) 56 (69) (2020)
Lei Li, Hao Li, Ieuan D Seymour, Lucas Koziol, Graeme A Henkelman
Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials. The Journal of chemical physics 152 (22) (2020)
Ryan A Ciufo, Sungmin Han, Michael E Floto, Graeme A Henkelman, Charles Buddie Mullins
Low temperature dissociation of CO on manganese promoted cobalt(poly). Chemical communications (Cambridge, England) 56 (19) (2020)
Jie Lin, Jin-Myoung Lim, Duck Hyun Youn, Yang Liu, Yuxin Cai, Kenta Kawashima, Jun-Hyuk Kim, Dong-Liang Peng, Hang Guo, Graeme A Henkelman, Adam Heller, Charles Buddie Mullins
Cu4SnS4-Rich Nanomaterials for Thin-Film Lithium Batteries with Enhanced Conversion Reaction. ACS nano 13 (9) (2019)
Jamie A Trindell, Zhiyao Duan, Graeme A Henkelman, Richard M Crooks
Well-Defined Nanoparticle Electrocatalysts for the Refinement of Theory. Chemical reviews 120 (2) (2019)
Kent J Griffith, Ieuan D Seymour, Michael Allan Hope, Megan M Butala, Leo K Lamontagne, Molleigh B Preefer, Can P Koçer, Graeme A Henkelman, Andrew J Morris, Matthew J Cliffe, Siân E Dutton, Clare P Grey
Ionic and Electronic Conduction in TiNb2O7. Journal of the American Chemical Society 141 (42) (2019)
Aliya S Lapp, Zhiyao Duan, Graeme A Henkelman, Richard M Crooks
Combined Experimental and Theoretical Study of the Structure of AuPt Nanoparticles Prepared by Galvanic Exchange. Langmuir : the ACS journal of surfaces and colloids 35 (50) (2019)
Hongyu Guo, Zhiwei Fang, Hao Li, Desiree Fernandez, Graeme A Henkelman, Simon M Humphrey, Guihua Yu
Rational Design of Rhodium-Iridium Alloy Nanoparticles as Highly Active Catalysts for Acidic Oxygen Evolution. ACS nano 13 (11) (2019)
Penghao Xiao, Graeme A Henkelman
Kinetic Monte Carlo Study of Li Intercalation in LiFePO4. ACS nano 12 (1) (2018)
Xin Lian, Penghao Xiao, Renlong Liu, Graeme A Henkelman
Communication: Calculations of the (2 × 1)-O reconstruction kinetics on Cu(110). The Journal of chemical physics 146 (11) (2018)
Cecilia Clementi, Graeme A Henkelman
Preface: Special Topic on Reaction Pathways. The Journal of chemical physics 147 (15) (2018)
Nevena Ostojic, Zhiyao Duan, Aigerim Galyamova, Graeme A Henkelman, Richard M Crooks
Electrocatalytic Study of the Oxygen Reduction Reaction at Gold Nanoparticles in the Absence and Presence of Interactions with SnO x Supports. Journal of the American Chemical Society 140 (42) (2018)
Zongyao Li, Yujin Cho, Xiang Li, Xinyu Li, Akihisa Aimi, Yoshiyuki Inaguma, José Antonio Alonso, Maria T Fernandez-Diaz, Jiaqiang Yan, Michael C Downer, Graeme A Henkelman, John B Goodenough, Jianshi Zhou
New Mechanism for Ferroelectricity in the Perovskite Ca2-xMnxTi2O6 Synthesized by Spark Plasma Sintering. Journal of the American Chemical Society 140 (6) (2018)
Katayun Barmak, Jiaxing Liu, Liam Harlan, Penghao Xiao, Juliana Duncan, Graeme A Henkelman
Transformation of topologically close-packed β-W to body-centered cubic α-W: Comparison of experiments and computations. The Journal of chemical physics 147 (15) (2018)
Aliya S Lapp, Zhiyao Duan, Nicholas Marcella, Long Luo, Arda Genc, Jan Ringnalda, Anatoly I Frenkel, Graeme A Henkelman, Richard M Crooks
Experimental and Theoretical Structural Investigation of AuPt Nanoparticles Synthesized Using a Direct Electrochemical Method. Journal of the American Chemical Society 140 (20) (2018)
Hao Li, Kihyun Shin, Graeme A Henkelman
Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces. The Journal of chemical physics 149 (17) (2018)
Zhiyao Duan, Graeme A Henkelman
Calculations of the pH-Dependent Onset Potential for CO Electrooxidation on Au(111). Langmuir : the ACS journal of surfaces and colloids 34 (50) (2018)
Hongcai Gao, Ieuan D Seymour, Sen Xin, Leigang Xue, Graeme A Henkelman, John B Goodenough
Na3MnZr(PO4)3: A High-Voltage Cathode for Sodium Batteries. Journal of the American Chemical Society 140 (51) (2018)
Linyu Hu, Chunlong Dai, Jin-Myoung Lim, Yuming Chen, Xin Lian, Minqiang Wang, Yi Li, Penghao Xiao, Graeme A Henkelman, Maowen Xu
A highly efficient double-hierarchical sulfur host for advanced lithium-sulfur batteries. Chemical science 9 (3) (2017)
Jie Lin, Jin-Myoung Lim, Duck Hyun Youn, Kenta Kawashima, Jun-Hyuk Kim, Yang Liu, Hang Guo, Graeme A Henkelman, Adam Heller, Charles Buddie Mullins
Self-Assembled Cu-Sn-S Nanotubes with High (De)Lithiation Performance. ACS nano 11 (10) (2017)
Long Luo, Zhiyao Duan, Hao Li, Joohoon Kim, Graeme A Henkelman, Richard M Crooks
Tunability of the Adsorbate Binding on Bimetallic Alloy Nanoparticles for the Optimization of Catalytic Hydrogenation. Journal of the American Chemical Society 139 (15) (2017)
Tianhan Kai, Min Zhou, Zhiyao Duan, Graeme A Henkelman, Allen J Bard
Detection of CO2•- in the Electrochemical Reduction of Carbon Dioxide in N,N-Dimethylformamide by Scanning Electrochemical Microscopy. Journal of the American Chemical Society 139 (51) (2017)
Duck Hyun Youn, Shannon K Stauffer, Penghao Xiao, Hunmin Park, Yejin Nam, Andrei Dolocan, Graeme A Henkelman, Adam Heller, C Buddie Mullins
Simple Synthesis of Nanocrystalline Tin Sulfide/N-Doped Reduced Graphene Oxide Composites as Lithium Ion Battery Anodes. ACS nano 10 (12) (2016)