Publication

Organometallics on Silicon - a Synchrotron-Radiation Photoemission-Study of the Adsorption of Iron Pentacarbonyl on Si(111) Surfaces with Different Reconstructions

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Gas/Surface reactions probed by reflection absorption infrared spectroscopy

In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...

EPFL2023

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Berend Smit, Susana Garcia Lopez, Elias Moubarak, Seyedmohamad Moosavi

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

AMER CHEMICAL SOC2023

Deposition freezing, pore condensation freezing and adsorption: three processes, one description?

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Heterogeneous ice nucleation impacts the hydrological cycle and climate through affecting cloud microphysical state and radiative properties. Despite decades of research, a quantitative description and understanding of heterogeneous ice nucleation remains ...

Gottingen2023

Flowing Gas Experiments Reveal Mechanistic Details of Interfacial Reactions on a Molecular Level at Knudsen Flow Conditions

Christian Ludwig, Michel Rossi, Riccardo Iannarelli

Knudsen flow experiments and its interpretation in terms of adsorption/desorption kinetics as well as quantitative uptake on substrates of interest is presented together with the description of critical design parameters of the Knudsen Flow Reactor (KFR). ...

2022

A New Reference for the Thermal Equation of State of Iron

James Badro

The high-pressure, high-temperature behavior of iron was investigated to 140 GPa and 3500 K with in situ synchrotron X-ray diffraction. Iron samples were compressed in diamond-anvil cells and heated up with the double-sided laser-heating system installed a ...

MDPI2020

Adsorption of HPDX and CaHPOx (x=1, ...,4) molecules on anatase TiO2 (001) surfaces

Michel Posternak

perform DFT calculations within the COSMO framework to study the adsorption properties of the CaHPOx (x = 1,...,4) phosphate family, and of the related HPOx acids, on a paradigmatic anatase (001) surface. Of particular interest is CaHPO4, a precursor of hy ...

ELSEVIER SCIENCE BV2019

Correlation between Ethylene Adsorption Energies and Core-Level Shifts for Pd Nanoclusters

Density functional theory calculations have been used to investigate the adsorption of ethylene on Pd nanoclusters together with shifts in core-level binding energies of Pd atoms bonded to the adsorbate. The adsorption energy is found to correlate with the ...

2019

Catalyst support and solvent effects during lignin depolymerization and hydrodeoxygenation

Jeremy Luterbacher, Florent Emmanuel Héroguel

We studied and compared the hydrodeoxygenation (HDO) and depolymerization of aldehyde-stabilized lignin and 4-propylguaiacol (PG), a model lignin monomer. We demonstrated by liquid phase adsorption that PG HDO catalyzed by Ru/C can be achieved in isooctane ...

2019

Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility

Berend Smit, Kyriakos Stylianou, Seyedmohamad Moosavi, Daniele Ongari, Peter George Boyd, Andrzej Gladysiak, Arunraj Chidambaram, Kathryn Suzanne Deeg, Kaili Yee Ordiz

In this work, we report the synthesis of SION-8, a novel metal-organic framework (MOF) based on Ca(II) and a tetracarboxylate ligand TBAPy(4-) endowed with two chemically distinct types of pores characterized by their hydrophobic and hydrophilic properties ...

2018

Amine functionalized activated carbon fibers as effective structured adsorbents for formaldehyde removal

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Activated carbon fibers (ACFs) with surface modified by a diethylene triamine (DETA) are synthesized for the abatement of formaldehyde in gas phase at low concentration. Adsorbents with several DETA loadings were tested and characterized. The amount of DET ...

2018

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