Publications related to Hydrogen atom

Biobased surfactant

Jeremy Luterbacher, Songlan Sun, Stefania Bertella, Anastasiia Komarova

The present invention relates to a compound of the general formula (I), and (II)wherein one of R11 and R12 is hydrogen and the other is -CH2-R70, and one of R13 and R14 is hydrogen and the other is -CH2-R71, or wherein one of R11 and R12 is hydrogen and th ...

2024

Biobased surfactant

Jeremy Luterbacher, Songlan Sun, Stefania Bertella, Anastasiia Komarova

The present invention relates to a compound of the general formula (I), (II) and (III), more specifically of formula (Ia), (Ib), (Ic)wherein R11 and R12 or R21 and R22 or R31 and R32 are both hydrogen or form together with CHR50 a cyclic moiety or one of R ...

2024

'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Michele Kotiuga

In ferroelectric switching, an applied electric field switches the system between two polar symmetry-equivalent states. In this work, we use first-principles calculations to explore the polar states of hydrogen-doped samarium nickelate (SNO) at a concentra ...

Iop Publishing Ltd2024

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Clément Marie Soulard

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

EPFL2024

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Aip Publishing2024

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Single emulsion drops for photocatalytic water splitting as a membrane-free approach to product separation

Sophia Haussener, Esther Amstad, Gaia De Angelis, Swarnava Nandy, Sangram Ashok Savant

The coevolution of hydrogen and oxygen during photocatalytic water splitting presents a challenge for efficient product separation. Here, we demonstrate membrane-free, drop-based photocatalytic water splitting with inherent product separation and competiti ...

2023

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Harmina Vejayan

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

Erbium and thulium on MgO(100)/Ag(100) as candidates for single atom qubits

Harald Brune, François Patthey, Stefano Rusponi, Marina Pivetta, Fabio Donati, Aparajita Singha, Edgar Fernandes

Lanthanide atoms on surfaces are an exceptional platform for atomic-scale magnetic information storage. However, their potential as qubits remains unexplored due to the limited number of experimental setups that can coherently drive the spins of single ada ...

AMER PHYSICAL SOC2023

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

David Lyndon Emsley, Federico De Biasi, Yu Rao, Dominik Józef Kubicki, Amrit Venkatesh

The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is followed by the transpo ...

Wiley-VCH Verlag GmbH2023

Comparison of momentum transport in matched hydrogen and deuterium H-mode plasmas in ASDEX Upgrade

Basil Duval, Emiliano Fable, Giovanni Tardini

Advanced momentum transport analysis is used to study matched hydrogen (H) and deuterium (D) plasmas in the core of ASDEX Upgrade. The aim is to validate gyrokinetic theory and assess a possible isotope dependence. The methodology extracts momentum diffusi ...

IOP Publishing Ltd2023

Using Complex Hydrides for Hydrogen Storage and Direct Borohydride Fuel Cells for Electricity Production

Youngdon Ko

Hydrogen storage and utilization are the technologies to achieve carbon-neutral energy systems with renewable energy sources. Among the various materials that have been investigated, complex hydrides are a material exhibiting high gravimetric hydrogen dens ...

EPFL2023

Pre-annealing for improved LPCVD deposited boron-doped poly-Si hole-selective contacts

Franz-Josef Haug, Luca Massimiliano Antognini, Josua Andreas Stückelberger, Xinyu Zhang, Zhao Wang, Jie Yang

We demonstrate the beneficial effect of a pre-annealing step prior to the boron diffusion on passivation and contact resistivity of industrially LPCVD deposited poly-Si/SiOX hole-selective contacts. We investigate the influence of the pre-annealing tempera ...

ELSEVIER2023

Oxidase-Type C-H/C-H Coupling Using an Isoquinoline-Derived Organic Photocatalyst

Xile Hu, Lei Zhang

Oxidase-type oxidation is an attractive strategy in organic synthesis due to the use of O-2 as the terminal oxidant. Organic photocatalysis can effect metal-free oxidase chemistry. Nevertheless, current methods are limited in reaction scope, possibly due t ...

Wiley-VCH Verlag GmbH2022

Long Spin Lifetime in Rare-Earth Single-Atom Magnets at Surfaces

Boris Sorokin

Further miniaturisation of magnetic storage devices requires an advent of new types of magnets, since classical ferromagnetic materials show lack of remanence at nano- and subnanoscale. A single atom can represent the smallest possible bit of information. ...

EPFL2022

Magnetic Properties of Surface Adsorbed Metal Adatoms and Dimers

Dante Philippe Sblendorio

This thesis investigates the magnetic properties of single atoms and dimers adsorbed on graphene and oxide decoupling layers supported by single crystal metal substrates, using scanning tunneling microscopy (STM) and spin-polarized scanning tunneling micro ...

EPFL2022

Magnetism and metal-organic self-assembly of rare-earth atoms on decoupling layers

Sébastien Reynaud

This thesis presents investigations of magnetic and structural properties of two dimensional metal-organic frameworks and of single atoms, both adsorbed on decoupling layers grown on metal surfaces, with focus on rare earth elements. We first report on a ...

EPFL2022

Solid-state synthesis of CdFe2O4 binary catalyst for potential application in renewable hydrogen fuel generation

Michael Graetzel, Shaik Mohammed Zakeeruddin

Clean energy is highly needed at this time when the energy requirements are rapidly increasing. The observed increasing energy requirement are largely due to continued industrialization and global population explosion. The current means of energy source is ...

Nature Portfolio2022

Numerical simulations of gas puff imaging using a multi-component model of the neutral-plasma interaction in the tokamak boundary

Paolo Ricci

A three-dimensional simulation of gas puff imaging (GPI) diagnostics is carried out by using a self-consistent multi-component model of the neutral-plasma interaction. The simulation, based on the drift-reduced Braginskii model for the plasma and a kinetic ...

AIP Publishing2022

Equivariant Diffusion for Molecule Generation in 3D

Clément Arthur Yvon Vignac

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on bot ...

JMLR-JOURNAL MACHINE LEARNING RESEARCH2022