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5 results in Authors: Rachelle Choueiri

Theoretical and Computational Chemistry

β-NiOOH is An Active Electrocatalyst for the Ammonia Oxidation Reaction Predicted by Density Functional Theory

Rachelle M. Choueiri, Leanne D. Chen

Version 1 posted 09 August 2022

421

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Mechanism of Ammonia Oxidation to Dinitrogen, Nitrite, and Nitrate on 𝛽-Ni(OH)2 from First-Principles Simulations

Rachelle M. Choueiri, Stephen W. Tatarchuk, Anna Klinkova, Leanne D. Chen

Version 1 posted 12 August 2021

867

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Scaling Relations for Ammonia Oxidation

Rachelle Choueiri, Stephen Tatarchuk, Olivia Parker, William Cooper, Leanne Chen

Version 2 posted 18 November 2024

281

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Understanding the Mechanism of Urea Oxidation from First-Principles Calculations

Stephen Tatarchuk, Rachelle Choueiri, Alexander MacKay, Shayne Johnston, William Cooper, Kayla Snyder, Jury Medvedev, Anna Klinkova, Leanne Chen

Version 2 posted 24 November 2023

725

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A Density Functional Theory Investigation of Ammonia Oxidation on the M-doped β-Ni(OH)2 (M = Cr, Co, Cu, Fe) Surfaces

Shayne Johnston, Rachelle Choueiri, Xinrun Liu, Brendan Laframboise, Stephen Tatarchuk, Leanne Chen

Version 1 posted 25 October 2023

255

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