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6 results in Keywords: scaling relations

Rationally Tailoring Catalysts for the CO Oxidation Reaction by Using DFT Calculations

Dengxin Yan, Henrik Kristoffersen, Jack Pedersen, Jan Rossmeisl

Version 3 posted 18 October 2021

1,089

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Theoretical and Computational Chemistry

The Effect of Hartree-Fock Exchange on Scaling Relations and Reaction Energetics for C–H Activation Catalysts

Vyshnavi Vennelakanti, Aditya Nandy, Heather Kulik

Version 1 posted 11 June 2021

410

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Escaping Scaling Relationships for Water Dissociation at Interfacial Sites of Zirconia-Supported Rh and Pt Clusters

Minttu M. Kauppinen, Ville Korpelin, Anand Mohan Verma, Marko Melander, Karoliina Honkala

Version 1 posted 05 September 2019

603

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1

Citations

Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

Michael Craig, Gabriel Coulter, eoin dolan, Joaquín Soriano-López, Wolfgang Schmitt, Max Garcia-Melchor

Version 2 posted 29 April 2019

955

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Cooperative Single-Atom Active Centers for Attenuating Linear Scaling Effect in Nitrogen Reduction Reaction

Ke Ye, Min Hu, Qin-Kun Li, Yi Luo, Jun Jiang, Guozhen Zhang

Version 3 posted 25 May 2021

592

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Elucidating the Role of Strain in Catalysis toward Modulating Surface-Adsorbate Interactions and Tuning Catalytic Activity

Siddhesh S Borkar, Manish Shetty

Version 1 posted 20 February 2024

206

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