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Catalysis

Working Paper

First step of the oxygen reduction reaction on Au(111): A computational study of O2 adsorption at the electrified metal/water interface

Alexandra M. Dudzinski, Elias Diesen, Hendrik H. Heenen, Vanessa Jane Bukas, Karsten Reuter

Version 1 posted 09 May 2023

417

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Catalysis

Working Paper

A spin promotion effect in catalytic ammonia synthesis

Ang Cao, Vanessa Jane Bukas, Vahid Shadravan, Zhenbin Wang, Jakob Kibsgaard, Hao Li, Ib Chorkendorff, Jens Kehlet Nørskov

Version 1 posted 28 February 2022

479

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Theoretical and Computational Chemistry

Working Paper

Trends of Pd3Au(111) alloy surface segregation in oxygen, carbon, and nitrogen environments

Olga V. Vinogradova, Karsten Reuter, Vanessa Jane Bukas

Version 1 posted 18 August 2023

159

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Catalysis

Working Paper

On the Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111)

Elias Diesen, Alexandra M. Dudzinski, Karsten Reuter, Vanessa Jane Bukas

Version 1 posted 22 July 2024

438

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1

Citations

Inorganic Chemistry

Working Paper

Rationalizing the “Anomalous” Electrochemical Stark Shift of CO at Pt(111) Through Vibrational Spectroscopy and Density-Functional Theory Calculations

Elias Diesen, Mehmet Ugur Coskun, Sergio Diaz-Coello, Vanessa Jane Bukas, Julia Kunze-Liebhäuser, Karsten Reuter

Version 1 posted 07 November 2024

239

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Physical Chemistry

Working Paper

Mechanisms of Two-Electron and Four-Electron Electrochemical Oxygen Reduction Reactions at Nitrogen-Doped Reduced Graphene Oxide

Hyo Won Kim, Vanessa Jane Bukas, Hun Park, Sojung Park, Kyle M. Diederichsen, Jinkyu Lim, Young Hoon Cho, Juyoung Kim, Wooyul Kim, Tae Hee Han, Johannes Voss, Alan C. Luntz, Bryan D. McCloskey

Version 2 posted 17 December 2019

1,448

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Catalysis

Working Paper

A Molecular-Level Mechanism of the Biological N2 Fixation

Vanessa Jane Bukas, Jens Kehlet Nørskov

Version 1 posted 25 October 2019

1,652

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4

Citations

Catalysis

Working Paper

Dipole Field Interactions Determine the CO2 Reduction Activity of 2D FeNC Single Atom Catalysts

Sudarshan Vijay, Joseph Gauthier, Hendrik Heenen, Vanessa Jane Bukas, Henrik Høgh Kristoffersen, Karen Chan

Version 2 posted 27 March 2020

892

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Catalysis

Working Paper

Exploring mesoscopic mass transport effects on electrocatalytic selectivity

Hendrik H. Heenen, Hemanth S. Pillai, Karsten Reuter, Vanessa Jane Bukas

Version 1 posted 28 December 2023

454

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Refine Search

9 results in Vanessa Jane Bukas in Authors: Vanessa Jane Bukas

First step of the oxygen reduction reaction on Au(111): A computational study of O2 adsorption at the electrified metal/water interface

A spin promotion effect in catalytic ammonia synthesis

Trends of Pd3Au(111) alloy surface segregation in oxygen, carbon, and nitrogen environments

On the Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111)

Rationalizing the “Anomalous” Electrochemical Stark Shift of CO at Pt(111) Through Vibrational Spectroscopy and Density-Functional Theory Calculations

Mechanisms of Two-Electron and Four-Electron Electrochemical Oxygen Reduction Reactions at Nitrogen-Doped Reduced Graphene Oxide

A Molecular-Level Mechanism of the Biological N2 Fixation

Dipole Field Interactions Determine the CO2 Reduction Activity of 2D FeNC Single Atom Catalysts

Exploring mesoscopic mass transport effects on electrocatalytic selectivity

9 results in Authors: Vanessa Jane Bukas