Publications associées à Hydrogénoïde

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

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

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

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

Alessandro Carbone

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classif ...

MDPI2022

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

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

Unified theory of atom-centered representations and message-passing machine-learning schemes

Michele Ceriotti, Guillaume André Jean Fraux, Sergey Pozdnyakov, Jigyasa Nigam

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-cen ...

AIP Publishing2022

Competitive Dehydrogenation and Backbone Fragmentation of Superhydrogenated PAHs: A Laboratory Study

Eduardo Carrascosa Casado, Robert Richter

Superhydrogenated polycyclic aromatic hydrocarbons (PAHs) have been suggested to catalyze the formation of H-2 in certain regions of space, but it remains unclear under which circumstances this mechanism is viable given the reduced carbon backbone stabilit ...

2021

Renewable monomer and polymer thereof

Jeremy Luterbacher, Lorenz Perry Manker, Stefania Bertella, Graham Reid Dick

Described is a compound having the structure (I), (II) or (V), Formulae(I), (II), (V), wherein R1 is -H, -CH2OH or -CH(OH)CH2OH; R2 is -H, -OH, or -CH2OH; R3 is -H, -OH, or -CH2OH; n is 0 or 1; p is 0 or 1; R10 is hydrogen or a hydrocarbon moiety with 1 to ...

2021

Investigation of the fine structure of antihydrogen

Shirit Cohen

At the historic Shelter Island Conference on the Foundations of Quantum Mechanics in 1947, Willis Lamb reported an unexpected feature in the fine structure of atomic hydrogen: a separation of the 2S(1/2) and 2P(1/2) states(1). The observation of this separ ...

2020

Fluorination of Organic Spacer Impacts on the Structural and Optical Response of 2D Perovskites

Mohammad Khaja Nazeeruddin, Giulia Grancini, Inés Garcia Benito, Valentin Ianis Emmanuel Queloz, Tom Theodorus Antonius Lummen, Pietro Caprioglio

Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent stru ...

2020

Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination

Christoph Leopold Talirz, Daniele Passerone

We study the band gap of finite NA=7 armchair graphene nanoribbons (7-AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations. The band gap of 7-AGNRs with lengths of 8 nm and more is conver ...

WILEY-V C H VERLAG GMBH2019

New refinement of the crystal structure of Zn(NH3)(2)Cl-2 at 100 K

Arnaud Magrez, Trpimir Ivsic

The crystal structure of [ZnCl2(NH3)(2)], diamminedichloridozinc, was reinvestigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with pre ...

2019

Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy

Benjamin André René Meyer

The coupling of the crystallographic refinement technique Hirshfeld atom refinement (HAR) with the recently constructed libraries of extremely localized molecular orbitals (ELMOs) gives rise to the new quantum-crystallographic method HAR-ELMO. This method ...

AMER CHEMICAL SOC2019

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo

We present a procedure for addressing extrinsic defects in amorphous oxides, in which the most stable defect configurations are identified through ab initio molecular dynamics in various charge states and studied through hybrid functional calculations. The ...

American Physical Society (APS)2019

Universal noise in continuous transport measurements of interacting fermions

Jean-Philippe Brantut

We propose and analyze continuous measurements of atom number and atomic currents using dispersive probing in an optical cavity. For an atom-number measurement in a closed system, we relate both the detection noise and the heating rate due to measurement b ...

2018

Optical properties of size selected neutral Ag clusters: electronic shell structures and the surface plasmon resonance

Harald Brune, Wolfgang Harbich, Chongqi Yu

We present optical absorption spectra from the ultraviolet to the visible for size selected neutral Ag-n clusters (n = 5-120) embedded in solid Ne. We compare the spectra to time-dependent density functional calculations (TDDFT) that address the influence ...

ROYAL SOC CHEMISTRY2018

Giant multiphoton absorption for THz resonances in silicon hydrogenic donors

Gabriel Aeppli, Le Nguyen Hoang

The absorption of multiple photons when there is no resonant intermediate state is a well-known nonlinear process in atomic vapours, dyes and semiconductors. The N-photon absorption (NPA) rate for donors in semiconductors scales proportionally from hydroge ...

Nature Publishing Group2018

Softening and hardening of yield stress by hydrogen–solute interactions

William Curtin, Binglun Yin, Ali Tehranchi

Hydrogen atoms have a wide variety of effects on the mechanical performance of metals, and the underlying mechanisms associated with effects on plastic flow and embrittlement remain to be discovered or validated. Here, the reduction in the plastic flow str ...

Taylor & Francis2017

Antihydrogen accumulation for fundamental symmetry tests

Shirit Cohen

Antihydrogen, a positron bound to an antiproton, is the simplest anti-atom. Its structure and properties are expected to mirror those of the hydrogen atom. Prospects for precision comparisons of the two, as tests of fundamental symmetries, are driving a vi ...

Springer Nature2017