Publications related to Grafting of Alkali Metals on Fumed Silica for the Catalytic Dehydrogenation of Methanol to Formaldehyde

Related publications (37)

Synthesis and Activation of Heteroatom-Substituted Four-Membered Carbocycles

Strained ring systems such as cyclobutanes offer unique opportunities for synthetic innovation. Its significant ring strain, caused by compressed bond angles, presents synthetic challenges; however, this same strain renders the ring a valuable handle for a ...

EPFL2025

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

Harald Brune, Hao Yin

The spatially resolved identification of active sites on the heterogeneous catalyst surface is an essential step toward directly visualizing a catalytic reaction with atomic scale. To date, ferrous centers on platinum group metals have shown promising pote ...

Amer Chemical Soc2024

New Applications of 1,3,2-Diazaphospholenes in Catalysis

Johannes Klett

The constant urge to construct new molecules in an economical and sustainable fashion led to the development of numerous metal-catalyzed transformations. Organocatalysts consisting of abundant and more sustainable elements offer an elegant solution to over ...

EPFL2024

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Nicola Colonna

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Multi-machine benchmark of the self-consistent 1D scrape-off layer model DIV1D from stagnation point to target with SOLPS-ITER

Holger Reimerdes

This paper extends a 1D dynamic physics-based model of the scrape-off layer (SOL) plasma, DIV1D, to include the core SOL and possibly a second target. The extended model is benchmarked on 1D mapped SOLPS-ITER simulations to find input settings for DIV1D th ...

Iop Publishing Ltd2024

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Modulating the Surface Properties of Lithium Niobate Nanoparticles by Multifunctional Coatings Using Water-in-Oil Microemulsions

Sandrine Gerber, Alessandra Spada, Adrian Stefan Gheata

Inorganic nanoparticles (NPs) have emerged as promising tools in biomedical applications, owing to their inherent physicochemical properties and their ease of functionalization. In all potential applications, the surface functionalization strategy is a key ...

2023

Copper lattice tension boosts full-cell CO electrolysis to multi-carbon olefins and oxygenates

Xile Hu, Wenchao Ma

Electrocatalytic upgrading of CO to value-added multi-carbon (C2+) compounds is a promising approach to efficient carbon utilization. However, current full-cell systems have low energy conversion effi-ciencies under practical conditions due to the requirem ...

Cell Press2023

Stability and Reactivity of a Polyoxymethylene Dimethyl Ether over Typical Catalysts for Diesel Emission Control

Oliver Kröcher, Davide Ferri

Polyoxymethylene dimethyl ethers (OME) produced from methanol are considered as potential substitutes of Diesel fuel. Emissions of formaldehyde and other components have been observed, particularly under cold-start conditions in engine test-bench experimen ...

SPRINGER/PLENUM PUBLISHERS2023

High-Density Immobilization of TCEP on Silica Beads for Efficient Disulfide Reduction and Thiol Alkylation in Peptides

Christian Heinis

Tris-(2-carboxyethyl)phosphine (TCEP) linked to agarose beads is widely used for reducing disulfide bridges in proteins and peptides. The immobilization of TCEP on beads allows efficient removal after reduction to prevent its reaction with alkylating reage ...

2023

A Cobalt Nanocatalyst for the Hydrogenation and Oxidative Dehydrogenation of N-heterocycles

Paul Joseph Dyson, Yelin Hu, Mingyang Liu

Catalytic hydrogenation and oxidative dehydrogenation of N-heterocycles to produce tetrahydroquinoline and quinoline derivatives are important reactions of particular importance in the agrochemical and pharmaceutical industries. Herein, we report earth-abu ...

Wiley-VCH Verlag2023

Strong silicon oxide inclusions in iron

Andreas Mortensen, Léa Deillon, Alejandra Inés Slagter, Joris Pierre Everaerts

Oxide inclusions are ubiquitous in steel and are known to affect, generally in a negative sense, the mechanical performance of steel products. Micromechanical properties of those phases are therefore important, yet they have remained largely unexplored. We ...

2022

Understanding the growth mechanism of BaZrS3 chalcogenide perovskite thin films from sulfurized oxide precursors

Anna Fontcuberta i Morral, Mirjana Dimitrievska, Elias Zsolt Stutz, Santhanu Panikar Ramanandan, Andrea Giunto

Barium zirconium sulfide (BaZrS3) is an earth-abundant and environmentally friendly chalcogenide perovskite with promising properties for various energy conversion applications. Recently, sulfurization of oxide precursors has been suggested as a viable sol ...

IOP Publishing Ltd2023

Hypervalent Iodine: New Reagents and Functionalization of Peptides

Eliott Hugo Joran Le Du

Alkynes are found in a multitude of natural or synthetic bioactive compounds. In addition to the capacity of these chemical motifs to impact the physicochemical properties of a molecule of interest, the well-established reactivity of alkynes makes them ide ...

EPFL2023

The effect of paste composition, aggregate mineralogy and temperature on the pore solution composition and the extent of ASR expansion

Karen Scrivener, Mahsa Bagheri

The reaction kinetics of the alkali silica reaction depends on the composition of the pore solution. The evolution of the pore solution composition in different cement pastes and concretes was studied. Pastes containing silica fume or metakaolin had the lo ...

SPRINGER2022

A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

Molecular insights into the electrical double layer of colloidal oxide particles obtained through second harmonic scattering

Marie Bischoff

Photocatalytic applications play an essential role in the search for alternative energy sources and environmental decontamination techniques. It is of fundamental interest to understand on a molecular level the aqueous solid/liquid interface, where photoca ...

EPFL2022

A spectroscopic inference and SOLPS-ITER comparison of flux-resolved edge plasma parameters in detachment experiments on TCV

Basil Duval, Holger Reimerdes, Christian Gabriel Theiler, Kevin Henricus Annemarie Verhaegh, Mirko Wensing, Artur Perek

This work presents the use of a collisional-radiative model to infer plasma parameters from 2D emissivities of several deuterium Balmer lines. The emissivities were obtained by MANTIS, an absolutely calibrated, ten-camera imaging polychromator with

IOP Publishing Ltd2022

First-Principles Thermodynamics of CsSnI3

Nicola Marzari, Lorenzo Monacelli

CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...

AMER CHEMICAL SOC2023