CO Oxidation Mechanism on CeO2-Supported Au Nanoparticles
Kim, Hyun You, Lee, Hyuck Mo, Henkelman, Graeme
Published in Journal of the American Chemical Society (25.01.2012)
Published in Journal of the American Chemical Society (25.01.2012)
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Journal Article
Optimization methods for finding minimum energy paths
Sheppard, Daniel, Terrell, Rye, Henkelman, Graeme
Published in The Journal of chemical physics (07.04.2008)
Published in The Journal of chemical physics (07.04.2008)
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Journal Article
Solid-state dimer method for calculating solid-solid phase transitions
Xiao, Penghao, Sheppard, Daniel, Rogal, Jutta, Henkelman, Graeme
Published in The Journal of chemical physics (07.05.2014)
Published in The Journal of chemical physics (07.05.2014)
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Journal Article
A generalized solid-state nudged elastic band method
Sheppard, Daniel, Xiao, Penghao, Chemelewski, William, Johnson, Duane D, Henkelman, Graeme
Published in The Journal of chemical physics (21.02.2012)
Published in The Journal of chemical physics (21.02.2012)
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Journal Article
Highly reversible oxygen redox in layered compounds enabled by surface polyanions
Chen, Qing, Pei, Yi, Chen, Houwen, Song, Yan, Zhen, Liang, Xu, Cheng-Yan, Xiao, Penghao, Henkelman, Graeme
Published in Nature communications (08.07.2020)
Published in Nature communications (08.07.2020)
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Journal Article
Lithium Insertion in Nanostructured TiO2(B) Architectures
Dylla, Anthony G, Henkelman, Graeme, Stevenson, Keith J
Published in Accounts of chemical research (21.05.2013)
Published in Accounts of chemical research (21.05.2013)
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Journal Article
Unification of algorithms for minimum mode optimization
Zeng, Yi, Xiao, Penghao, Henkelman, Graeme
Published in The Journal of chemical physics (28.01.2014)
Published in The Journal of chemical physics (28.01.2014)
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Journal Article
Detection of CO2 •– in the Electrochemical Reduction of Carbon Dioxide in N,N‑Dimethylformamide by Scanning Electrochemical Microscopy
Kai, Tianhan, Zhou, Min, Duan, Zhiyao, Henkelman, Graeme A, Bard, Allen J
Published in Journal of the American Chemical Society (27.12.2017)
Published in Journal of the American Chemical Society (27.12.2017)
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Journal Article
Iridium single atoms incorporated in Co3O4 efficiently catalyze the oxygen evolution in acidic conditions
Zhu, Yiming, Wang, Jiaao, Koketsu, Toshinari, Kroschel, Matthias, Chen, Jin-Ming, Hsu, Su-Yang, Henkelman, Graeme, Hu, Zhiwei, Strasser, Peter, Ma, Jiwei
Published in Nature communications (14.12.2022)
Published in Nature communications (14.12.2022)
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Journal Article
A fast and robust algorithm for Bader decomposition of charge density
Henkelman, Graeme, Arnaldsson, Andri, Jónsson, Hannes
Published in Computational materials science (01.06.2006)
Published in Computational materials science (01.06.2006)
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