Publications de Michael Markus Busch

The Genesis of Molecular Volcano Plots

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch, Boodsarin Sawatlon

For the past two decades, linear free energy scaling relationships and volcano plots have seen frequent use as computational tools that aid in understanding and predicting the catalytic behavior of heterogeneous and electrocatalysts. Based on Sabatier's pr ...

2021

An Unconventional Iron Nickel Catalyst for the Oxygen Evolution Reaction

Xile Hu, Michaël Bensimon, Anne-Clémence Corminboeuf, Fang Song, Michael Markus Busch, Elitsa Petkucheva

The oxygen evolution reaction (OER) is a key process that enables the storage of renewable energies in the form of chemical fuels. Here, we describe a catalyst that exhibits turnover frequencies higher than state-of-the-art catalysts that operate in alkali ...

2019

On the Generality of Molecular Volcano Plots

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch, Boodsarin Sawatlon

In homogeneous catalysis, the structure and electronic config-uration of the active catalysts can vary significantly. Changes inligation, oxidation, and spin states have the potential to influ-ence the catalytic cycle energet ics strongly that, to a larged ...

Wiley-VCH Verlag2018

Exploring the Limitation of Molecular Water Oxidation Catalysts

Anne-Clémence Corminboeuf, Alberto Fabrizio, Michael Markus Busch

Linear free energy scaling relationships (LFESRs) and volcano plots are routinely used to assess the performance of heterogeneous electrocatalysts and have only recently been concretely exploited in homogeneous catalysis. These tools efficiently compare an ...

AMER CHEMICAL SOC2018

Expedited Screening of Active and Regioselective Catalysts for the Hydroformylation Reaction

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch

The discovery of new homogeneous catalysts that preferentially form one product over another in regio- or enantioselective chemical reactions has traditionally been the province of experimental chemists. Today, computational-based approaches have carved an ...

WILEY-V C H VERLAG GMBH2018

A Generalized Picture of C-C Cross-Coupling

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch

Transition metal catalyzed cross-coupling reactions occupy a privileged position in chemistry because of their ability to link myriad functional groups. The numerous variants of this reaction types (e.g., Suzuki, Kumada, Negishi, etc.) differ in the transm ...

American Chemical Society2017

Targeted design of alpha-MnO2 based catalysts for oxygen reduction

Michael Markus Busch

The paper focuses on theoretical and experimental aspects of an oxide surface optimization for oxygen reduction reaction (ORR). Various doped alpha-MnO2 based electrocatalysts were prepared by microwave-assisted hydrothermal synthesis and electrochemically ...

Pergamon-Elsevier Science Ltd2016

Study of Hypochlorite Reduction Related to the Sodium Chlorate Process

Michael Markus Busch

Reduction of hypochlorite is the most important side reaction in the sodium chlorate reactor leading to high energy losses. Today chromate is added to the reactor solution to minimize the hypochlorite reduction but a replacement is necessary due to health ...

Springer2016

Linear Scaling Relationships and Volcano Plots in Homogeneous Catalysis – Revisiting the Suzuki Reaction

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch

Linear free energy scaling relationships and volcano plots are common tools used to identify potential heterogeneous catalysts for myriad applications. Despite the striking simplicity and predictive power of volcano plots, they remain unknown in homogeneou ...

2015