Author: Omar Lopez-estrada

0000000001319212

AUTHOR

Omar Lopez-estrada

showing 2 related works from this author

Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-Based Nanoclusters

2023

The hydrogen evolution reaction (HER) is a critical reaction in addressing climate change; however, it requires catalysts to be generated on an industrial scale. Nanomaterials offer several advantages over conventional HER catalysts, including the possibility of atomic precision in tailoring the intrinsic activity. Ligand-protected metal clusters, such as the thiolate-protected MAu24(SR)18 (where M is Au, Cu, Pd), are of particular interest as not only are they electrocatalytically active toward HER, but the charge state and composition can be precisely tuned. Here, we present a comprehensive computational study examining how the charge state and dopants affect the catalytic activity of [MA…

ligand protected clusterelektrokatalyysinanorakenteetgold nanoclustertiheysfunktionaaliteoriaelectrocatalysisHERdopingdensity functional theoryredox potential

researchProduct

CCDC 1967410: Experimental Crystal Structure Determination

2020

Related Article: Hui Shen, Elli Selenius, Pengpeng Ruan, Xihua Li, Peng Yuan, Omar Lopez-Estrada, Sami Malola, Shuichao Lin, Boon K. Teo, Hannu Häkkinen, Nanfeng Zheng|2020|Chem.-Eur.J.|26|8465|doi:10.1002/chem.202001753

Space GroupCrystallographyCrystal SystemCrystal Structureoctakis(triphenylphosphine)-nona-gold chloride unknown solvateCell ParametersExperimental 3D Coordinates

researchProduct

PEPhysical Sciences and Engineering
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LSLife Sciences
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SHSocial Sciences and Humanities
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