Publications associées à Théorie de l'atome cubique

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

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

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

Laser photo-detachment combined with Langmuir probe in magnetized electronegative plasma: how the probe size affects the plasma dynamic?

Ivo Furno, Riccardo Agnello

Laser photo-detachment combined with a Langmuir probe (LP) is used to diagnose negative ion properties in electronegative plasmas. The technique relies on the combined use of a laser pulse and an LP. The laser pulse converts negative ions into electron-ato ...

IOP Publishing Ltd2021

Controlling Single Molecule Conductance by a Locally Induced Chemical Reaction on Individual Thiophene Units

Klaus Kern, Uta Schlickum, Hagen Klauk, Peter Wahl, Ivan Pentegov, Verena Katharina Schendel

Among the prerequisites for the progress of single-molecule-based electronic devices are a better understanding of the electronic properties at the individual molecular level and the development of methods to tune the charge transport through molecular jun ...

WILEY-V C H VERLAG GMBH2020

Oxidative cleavage of -O-4 bonds in lignin model compounds with a single-atom Co catalyst

Paul Joseph Dyson, Xile Hu, Zhaofu Fei, Antoine Philippe Van Muyden, Xiang Li, Lichen Bai, Zhangjun Huang, Xinjiang Cui, Sijie Liu

Single-atom catalysts are emerging as primary catalysts for many reactions due to their 100% utilization of active metal centers leading to high catalytic efficiencies. Herein, we report the use of a single-atom Co catalyst for the oxidative cleavage of th ...

2019

A Cobalt-Iron Double-Atom Catalyst for the Oxygen Evolution Reaction

Xile Hu, Duncan Thomas Lindsay Alexander, Lichen Bai

Single-atom catalysts exhibit well-defined active sites and potentially maximum atomic efficiency. However, they are unsuitable for reactions that benefit from bimetallic promotion such as the oxygen evolution reaction (OER) in an alkaline medium. Here we ...

2019

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Théorie de l'atome cubique

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

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

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

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

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Laser photo-detachment combined with Langmuir probe in magnetized electronegative plasma: how the probe size affects the plasma dynamic?

Controlling Single Molecule Conductance by a Locally Induced Chemical Reaction on Individual Thiophene Units

Oxidative cleavage of -O-4 bonds in lignin model compounds with a single-atom Co catalyst

A Cobalt-Iron Double-Atom Catalyst for the Oxygen Evolution Reaction

Functionalised metal-organic frameworks: a novel approach to stabilising single metal atoms

Graph Chatbot

Chattez avec Graph Search

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

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

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

A Cobalt-Iron Double-Atom Catalyst for the Oxygen Evolution Reaction

Functionalised metal-organic frameworks: a novel approach to stabilising single metal atoms

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Oxidative cleavage of -O-4 bonds in lignin model compounds with a single-atom Co catalyst

Controlling Single Molecule Conductance by a Locally Induced Chemical Reaction on Individual Thiophene Units

Laser photo-detachment combined with Langmuir probe in magnetized electronegative plasma: how the probe size affects the plasma dynamic?

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