Related publications (115)

Incommensurate phases

Gervais Chapuis

Incommensurately modulated crystalline phases are part of a more general family called aperiodic crystals. Their symmetry is treated within the theoretical framework of superspace groups that is a generalization of the 3D space groups that are used for con ...
Academic Press2024

Spin dynamics, loop formation and cooperative reversal in artificial quasicrystals with tailored exchange coupling

Dirk Grundler, Sho Watanabe, Vinayak Shantaram Bhat

Aperiodicity and un-conventional rotational symmetries allow quasicrystalline structures to exhibit unusual physical and functional properties. In magnetism, artificial ferromagnetic quasicrystals exhibited knee anomalies suggesting reprogrammable magnetic ...
2023

What do we talk about, when we talk about single-crystal termination-dependent selectivity of Cu electrocatalysts for CO2 reduction? A data-driven retrospective

Kevin Rossi

We mine from the literature experimental data on the CO2 electrochemical reduction selectivity of Cu single crystal surfaces. We then probe the accuracy of a machine learning model trained to predict faradaic efficiencies for 11 CO2 reduction reaction prod ...
ROYAL SOC CHEMISTRY2023

Machine learning for metallurgy IV: A neural network potential for Al-Cu-Mg and Al-Cu-Mg-Zn

William Curtin, Daniel John Gilles Marchand

Most metallurgical properties, e.g., dislocation propagation, precipitate formation, can only be fully understood atomistically but most phenomena and quantities of interest cannot be measured experimentally. Accurate simulation methods are essential but f ...
AMER PHYSICAL SOC2022

In situ spectroelectrochemical probing of CO redox landscape on copper single-crystal surfaces

Jinggang Lan

Electrochemical reduction of CO(2) to value-added chemicals and fuels is a promising strategy to sustain pressing renewable energy demands and to address climate change issues. Direct observation of reaction intermediates during the CO(2) reduction reactio ...
NATL ACAD SCIENCES2022

Magnons, worms and nanogratings in artificial magnetic quasicrystals

Sho Watanabe

Magnons (spin waves, SWs) are elementary spin excitations in magnetically ordered materials. They are the promising quanta for the transmission and processing of information. Magnons can be coupled to the electromagnetic waves utilized for the wireless com ...
EPFL2021

Theory-Guided Enhancement of CO2 Reduction to Ethanol on Ag-Cu Tandem Catalysts via Particle-Size Effects

Raffaella Buonsanti, James Richard Pankhurst, Pranit Srinivas Iyengar

In the CO2 reduction reaction, the design of electrocatalysts that selectively promote alcohols over hydrocarbons (e.g., ethanol over ethylene) hinges on the understanding of the pathways and specific sites that form alcohols. Herein, theoretical considera ...
AMER CHEMICAL SOC2021

Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment

Christoph Bostedt, Alessandro Colombo, Giorgio Rossi

Crystallization is a fundamental natural phenomenon and the ubiquitous physical process in materials science for the design of new materials. So far, experimental observations of the structural dynamics in crystallization have been mostly restricted to slo ...
NATL ACAD SCIENCES2021

Six new transformation pathways connecting simple crystal structures and common intermetallic crystal structures

Anirudh Raju Natarajan

Continuous pathways that connect different crystal structures can play a crucial role in determining the mechanisms with which structural phase transformations occur. The number of known pathways connecting metallic phases, such as the Bain path and the Bu ...
2021

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