Graeme Henkelman

University of Texas at Austin

2317 Speedway

Austin, TX Texas 78712

United States

  • University of Texas at Austin

SCHOLARLY PAPERS

5

DOWNLOADS

268

TOTAL CITATIONS

0

Scholarly Papers (5)

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1.

Calculated Outstanding Energy-Storage Media by Aluminum-Decorated Carbon Nitride (G-C3n4): Elucidating the Synergistic Effects of Electronic Structure Tuning and Localized Electron Redistribution

Number of pages: 22 Posted: 29 Nov 2022
Peng Gao, Zonghang Liu, Jiefeng Diao, Jiwen Li, Yuebin Tan, Guangtong Hai, Jiaao Wang and Graeme Henkelman
University of Wollongong, University of Jinan, University of Texas at Austin, Lanzhou University, Georgetown University, Tsinghua University, University of Texas at Austin and University of Texas at Austin
Downloads 111 (535,090)

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Hydrogen, DFT

2.

Design of Nanostructured Bimetallic Catalysts for the Cost-Efficient Reduction of Bromate in Drinking Water

Number of pages: 30 Posted: 06 Jul 2023
Jacob P. Troutman, Joao Restivo, Hyunwoo Ha, Zahra Bajalan, Carolyn E. Brady, João M. B. Costa, Carolina Vigil-Hernandez, José R. M. Barbosa, Carla Alexandra Orge, M. Fernando R. Pereira, Simon M. Humphrey, Graeme Henkelman, Charles J. Werth and Olívia S. G. P. Soares
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of Texas at Austin, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University of Texas at Austin - Department of Chemistry, University of Texas at Austin, University of Texas at Austin and affiliation not provided to SSRN
Downloads 54 (816,972)

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bimetallic alloy catalysts, bromate reduction, water treatment, nanocatalyst synthesis, Density functional theory (DFT)

3.

Co2-Mediated Porphyrin Catalysis in Reversible Li-Co2 Cells

Downloads 43 (906,757)

Co2-Mediated Porphyrin Catalysis in Reversible Li-Co2 Cells

Number of pages: 35 Posted: 31 Jan 2023
Boran Kim, Kihyun Shin, Graeme Henkelman and Won-Hee Ryu
affiliation not provided to SSRN, Hanbat National University, University of Texas at Austin and affiliation not provided to SSRN
Downloads 26 (1,115,317)

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Li-CO2 cells, manganese phthalocyanine, electrolyte catalysts, CO2 radical ions

Co2-Mediated Porphyrin Catalysis in Reversible Li-Co2 Cells

Number of pages: 34 Posted: 04 Jul 2023
Boran Kim, Kihyun Shin, Graeme Henkelman and Won-Hee Ryu
affiliation not provided to SSRN, Hanbat National University, University of Texas at Austin and affiliation not provided to SSRN
Downloads 10 (1,322,753)

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Li-CO2 cells, manganese phthalocyanine, electrolyte catalysts, CO2 radical ions

Co2-Mediated Porphyrin Catalysis in Reversible Li-Co2 Cells

Number of pages: 34 Posted: 08 May 2023
Boran Kim, Kihyun Shin, Graeme Henkelman and Won-Hee Ryu
affiliation not provided to SSRN, Hanbat National University, University of Texas at Austin and affiliation not provided to SSRN
Downloads 7 (1,352,236)

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Li-CO2 cells, manganese phthalocyanine, electrolyte catalysts, CO2 radical ions

4.

H2o2 Formation Mechanisms on the (112) and (310) Facets of Sno2 Via Water Oxidation Reaction with the Participation of Bicarbonate: Dft and Experimental Investigations

Number of pages: 23 Posted: 21 Mar 2022
Wenlong Guo, Yinqiong Xie, Shi Tang, Bo Yu, Xin Lian, Graeme Henkelman and Xi Liu
Chongqing Normal University, affiliation not provided to SSRN, affiliation not provided to SSRN, Chongqing University of Science and Technology, Chongqing University of Science and Technology, University of Texas at Austin and Chongqing Normal University
Downloads 33 (1,005,071)

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H2O2, Water oxidation, Bicarbonate, SnO2, (112) and (310) surfaces

5.

Atomistic Mechanisms of Binary Alloy Surface Segregation From Nanoseconds to Seconds Using Accelerated Dynamics

Number of pages: 25 Posted: 13 Nov 2021
Richard B. Garza, Jiyoung Lee, Mai H. Nguyen, Andrew Garmon, Danny Perez, Meng Li, Judith C. Yang, Graeme Henkelman and Wissam Abdo Saidi
University of Pittsburgh, University of Texas at Austin, University of Texas at Austin, Clemson University, Government of the United States of America - Theoretical Division, University of Pittsburgh, University of Pittsburgh, University of Texas at Austin and University of Pittsburgh - Department of Mechanical Engineering and Materials Science
Downloads 27 (1,072,348)

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