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Catalysis

Working Paper

On the Variability of Ligand pKa during Homogeneously Catalyzed Aqueous Methanol Dehydrogenation

Nitish Govindarajan, Hugo Beks, E.J. Meijer

Version 1 posted 01 September 2020

332

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Catalysis

Working Paper

Using pH dependence to understand mechanisms in electrochemical CO reduction

Georg Kastlunger, Lei Wang, Nitish Govindarajan, Hendrik H. Heenen, Stefan Ringe, Thomas Jaramillo, Christopher Hahn, Karen Chan

Version 3 posted 03 December 2021

1,793

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1

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Catalysis

Working Paper

Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models

Daniel Schwalbe-Koda, Nitish Govindarajan, Joel Varley

Version 2 posted 17 October 2024

743

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1

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Catalysis

Working Paper

Solvation of furfural at metal|water interfaces: Implications for aqueous phase hydrogenation reactions

Sihang Liu, Sudarshan Vijay, Mianle Xu, Ang Cao, Hector Prats, Georg Kastlunger, Hendrik Heenen, Nitish Govindarajan

Version 1 posted 07 April 2023

405

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Catalysis

Working Paper

Unraveling the reaction mechanisms for furfural electroreduction on copper

Sihang Liu, Zamaan Mukadam, Soren Scott, Saurav Sarma, Maria-Magdalena Titirici, Karen Chan, Nitish Govindarajan, Ifan Stephens, Georg Kastlunger

Version 1 posted 13 January 2023

436

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1

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Catalysis

Working Paper

Coupling microkinetics with continuum transport models to understand electrochemical CO2 reduction in flow reactors

Nitish Govindarajan, Tiras Lin, Thomas Roy, Christopher Hahn, Joel Varley

Version 1 posted 27 June 2023

508

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Theoretical and Computational Chemistry

Working Paper

Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials

Jiawei Guo, Marcos Calegari Andrade, Christopher Hahn, Ambarish Kulkarni, Nitish Govindarajan

Version 1 posted 10 April 2025

394

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Catalysis

Working Paper

Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu

Chansol Kim, Nitish Govindarajan, Sydney Hemenway, Junho Park, Anya Zoraster, Calton Kong, Rajiv Prabhakar, Joel Varley, Hee-Tae Jung, Christopher Hahn, Joel Ager

Version 1 posted 18 December 2023

510

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1

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Catalysis

Working Paper

Understanding the reaction mechanism of Kolbe electrolysis on Pt anodes

Sihang Liu, Nitish Govindarajan, Hector Prats, Karen Chan

Version 1 posted 19 October 2021

1,932

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Catalysis

Working Paper

Understanding activity trends in furfural hydrogenation on transition metal surfaces

Sihang Liu, Nitish Govindarajan, Karen Chan

Version 1 posted 02 August 2022

607

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13 results in Nitish Govindarajan in Authors: Nitish Govindarajan

On the Variability of Ligand pKa during Homogeneously Catalyzed Aqueous Methanol Dehydrogenation

Using pH dependence to understand mechanisms in electrochemical CO reduction

Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models

Solvation of furfural at metal|water interfaces: Implications for aqueous phase hydrogenation reactions

Unraveling the reaction mechanisms for furfural electroreduction on copper

Coupling microkinetics with continuum transport models to understand electrochemical CO2 reduction in flow reactors

Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials

Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu

Understanding the reaction mechanism of Kolbe electrolysis on Pt anodes

Understanding activity trends in furfural hydrogenation on transition metal surfaces

13 results in Authors: Nitish Govindarajan