Publications related to Restructuring Ni/Al2O3 by addition of Ga to shift product selectivity in CO2 hydrogenation: The role of hydroxyl groups

Related publications (22)

Heterogeneous catalysts derived from metal-NHC precursors

Biomass, especially lignin, is an attractive potential source for chemicals and fuels currently derived from petroleum. The valorisation of lignin is challenging due to its complex structure and the harsh conditions required for depolymerisation. Sub-nanom ...

EPFL2025

Dataset to accompany publication "Distinguishing Inner and Outer-Sphere Hot Electron Transfer in Au/p-GaN Photocathodes"

Giulia Tagliabue, Alan Richard Bowman, Fateme Kiani Shahvandi, Milad Sabzehparvar

This dataset accompanies the publication "Distinguishing Inner and Outer-Sphere Hot Electron Transfer in Au/p-GaN Photocathodes" published in Nano Letters. The data can be used to reproduce the original plots in figures 2-4 in the main text and all origina ...

Zenodo2025

A post-synthetic modification strategy for enhancing Pt adsorption efficiency in MOF/polymer composites

Emad Oveisi, Wendy Lee Queen, Mounir Driss Mensi, Mehrdad Asgari, Olga Trukhina, Vikram Vinayak Karve, Till Marian Schertenleib

Growing polymers inside porous metal-organic frameworks (MOFs) can allow incoming guests to access the backbone of otherwise non-porous polymers, boosting the number and/or strength of available adsorption sites inside the porous support. In the present wo ...

Royal Soc Chemistry2024

Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions

Thanapat Worakul, Anne-Clémence Corminboeuf, Matthew Wodrich, Rubén Laplaza Solanas, Shubhajit Das

Molecular volcano plots, which facilitate the rapid prediction of the activity and selectivity of prospective catalysts, have emerged as powerful tools for computational catalysis. Here, we integrate microkinetic modeling into the volcano plot framework to ...

Amer Chemical Soc2024

Platinum-Catalyzed Isomerization of Cyclopropenes to 1,3-Dienes

Jérôme Waser, Vladyslav Smyrnov

Herein we report a platinum-catalyzed isomerization of cyclopropenes to 1,3-dienes. Diverse dienylated alcohols were obtained in 42-98 % yield. The synthetic potential of the products was demonstrated by their use in Diels-Alder cycloadditions with various ...

Wiley-VHCA AG2024

Comparative life cycle analysis of electrolyzer technologies for hydrogen production: Manufacturing and operations

François Maréchal, Jan Van Herle, Shivom Sharma, Xinyi Wei, Suhas Nuggehalli Sampathkumar, Du Wen, Arthur Waeber

This study conducts a comprehensive life cycle assessment (LCA) of four electrolyzer technologies: alkaline electrolyzer (AEL), proton-exchange membrane (PEM), anion-exchange membrane (AEM), and solid oxide electrolyzer (SOE). It evaluates their environmen ...

2024

What do we talk about, when we talk about single-crystal termination-dependent selectivity of Cu electrocatalysts for CO2 reduction? A data-driven retrospective

Kevin Rossi

We mine from the literature experimental data on the CO2 electrochemical reduction selectivity of Cu single crystal surfaces. We then probe the accuracy of a machine learning model trained to predict faradaic efficiencies for 11 CO2 reduction reaction prod ...

ROYAL SOC CHEMISTRY2023

Charge fluctuations in the intermediate-valence ground state of SmCoIn5

Nicola Colonna

The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn5 and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and ...

NATURE PORTFOLIO2023

Widespread detection of chlorine oxyacids in the Arctic atmosphere

Julia Schmale, Ivo Fabio Beck, Hélène Paule Angot

Observations are reported of HClO3 and HClO4 in the atmosphere and their widespread occurrence over the pan-Arctic during spring, providing further insights into atmospheric chlorine cycling in the polar environment. ...

Nature Portfolio2023

High entropy molybdate-derived FeOOH catalyzes oxygen evolution reaction in alkaline media

Lichen Bai, Seunghwa Lee

High-entropy materials are a new class of materials that have lately been developed and applied to a variety of potential fields. Here we present that electrochemical activation facilitates the application of high-entropy molybdates (HEMo) as oxygen evolut ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Emission reduction by targeted transient operations in three-way catalysts for heavy-duty natural gas applications

Moyu Wang

To curb the severe effects of climate change, our society needs to radically reduce its CO2 footprint. For the heavy-duty sector, where electrification is difficult, alternative fuels can be the solution. Methane-fueled engines have lower energy-specific C ...

EPFL2022

Photochemical Production of Carbon Monoxide from Dissolved Organic Matter: Role of Lignin Methoxyarene Functional Groups

Joanna Maria Houska

Carbon monoxide (CO) is the second most abundant identified product of dissolved organic matter (DOM) photodegradation after CO2, but its formation mechanism remains unknown. Previous work showed that aqueous photodegradation of methoxy-substituted aromati ...

2022

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Klaus Kern, Stephan Rauschenbach, Sabine Abb, Sven Alexander Szilagyi, Hannah Julia Ochner

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

WILEY-V C H VERLAG GMBH2021

Visible-Light-Driven Water Oxidation on Self-Assembled Metal-Free Organic@Carbon Junctions at Neutral pH

Julieta Soledad Riva, Hubert Girault, Astrid Johana Olaya Avendano, Wanderson Oliveira Da Silva, Dominika Baster, François Maximilien Nathanaël Pichard

Sustainable water oxidation requires low-cost, stable, and efficient redox couples, photosensitizers, and catalysts. Here, we introduce the in situ self-assembly of metal-atom-free organic-based semiconductive structures on the surface of carbon supports. ...

AMER CHEMICAL SOC2021

The Genesis of Molecular Volcano Plots

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

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 ...

American Chemical Society2021

Intermolecular Pd(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes and Other Investigations into the Enantioselective Activation of Challenging C(sp3)-H Bonds

Qui-Hien Nguyen

The direct construction of stereogenic axes by enantioselective C-H arylation has been regarded as a very challenging transformation. Very few examples have been reported, despite the indisputable straight-forwardness of the methodology. This is due to the ...

EPFL2021

Survival of rotational alignment in H-2 scattering from Si(100)

Christopher Scott Reilly

We report a state-prepared, state-resolved study of rotational scattering of a diatomic molecule from a solid surface. Specifically, H-2 molecules with 80 meV kinetic energy are rotationally aligned in the j = 3 rotational state via stimulated Raman pumpin ...

AIP Publishing2021

Hydrogen-sieving single-layer graphene membranes obtained by crystallographic and morphological optimization of catalytic copper foil

Kumar Varoon Agrawal, Shiqi Huang, Shaoxian Li, Mojtaba Chevalier

Gas separation membranes based on single-layer-graphene are highly attractive because the size of graphene nanopores can be tuned to separate gases by the size-sieving mechanism. A prerequisite for this, the synthesis of high-quality polycrystalline single ...

2020

Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands

Rosario Scopelliti, Anne-Clémence Corminboeuf, Marinella Mazzanti, Ivica Zivkovic, Alberto Fabrizio, Luciano Barluzzi

Molecular uranium nitride complexes were prepared to relate their small molecule reactivity to the nature of the U & xe001;N & xe001;U bonding imposed by the supporting ligand. The U4+-U4+ nitride complexes, [NBu4][{(((BuO)-Bu-t)(3)SiO)(3)U}(2)(mu-N)], [NB ...

2019

Base-Free Transfer Hydrogenation with an Ionic-Liquid-Supported Ruthenium eta(6)-Arene Bis(pyrazolyl)methane Catalyst

Francisco Sepulveda, Paul Joseph Dyson, Andrew Douglas Phillips

Ruthenium complexes of the type [RuCl(eta(6)-arene)-(NN)]X (X = BF4 or BPh4) featuring an eta(6)-arene ligand modified with an imidazolium ring and incorporating the bis(azo) chelating (NN) ligands 2-hydroxyphenylbis(3,5-dimethylpyrazol-1-yl) methane or 2- ...

Wiley-Blackwell2017