Publication

Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory

Related publications (32)

State-to-state surface scattering of methane studied by bolometric infrared laser tagging detection

State-to-state molecule/surface scattering experiments prepare the incident molecules in a specific quantum state and measure the quantum state distribution of the scattered molecules. The comparison of state resolved experiments with theory can serve as s ...

EPFL2022

Electron probing of oxygen-evolving oxide catalysts

Tzu-Hsien Shen

Water splitting is one of the cleanest ways to store energy. The production of hydrogen and oxygen gases can be utilized in fuel cells to generate electricity, power, and heat. In the water splitting process, the oxygen evolution reaction (OER), taking pla ...

EPFL2022

Effect of Co-Substitution on Hydrogen Absorption and Desorption Reactions of YMgNi4-Based Alloys

Loris Giovanni Lombardo, Andreas Züttel, Wen Luo, Heena Yang

YMgNi4-based alloys exhibit reversible hydrogen absorption and desorption reactions at near room temperature. Here, we report that Co-substituted YMgNi4-based alloys exhibited higher hydrogen contents and lower hydrogen absorption and desorption reaction p ...

AMER CHEMICAL SOC2022

Ultrafast Transverse Modulation of Free Electrons by Interaction with Shaped Optical Fields

Thomas La Grange, Fabrizio Carbone, Ivan Madan, Giovanni Maria Vanacore, Francesco Barantani, Ido Kaminer, Alexey Sapozhnik, Simone Gargiulo, Veronica Leccese, Phoebe Marie Tengdin

Spatiotemporal electron-beam shaping is a bold frontier of electron microscopy. Over the past decade, shaping methods evolved from static phase plates to low-speed electrostatic and magnetostatic displays. Recently, a swift change of paradigm utilizing lig ...

AMER CHEMICAL SOC2022

Spectral properties of extended systems from Koopmans-compliant functionals

Riccardo De Gennaro

Electronic-structure simulations have been impacting the study of materials properties thanks to the simplicity of density-functional theory, a method that gives access to the ground state of the system. Although very important, ground-state properties rep ...

EPFL2022

Koopmans Spectral Functionals in Periodic Boundary Conditions

Nicola Marzari, Nicola Colonna, Riccardo De Gennaro, Edward Baxter Linscott

Koopmans spectral functionals aim to describe simultaneously ground-state properties and charged excitations of atoms, molecules, nanostructures, and periodic crystals. This is achieved by augmenting standard density functionals with simple but physically ...

AMER CHEMICAL SOC2022

Near-Field Mapping of Photonic Eigenmodes in Patterned Silicon Nanocavities by Electron Energy-Loss Spectroscopy

Valentin Flauraud, Duncan Thomas Lindsay Alexander

Recently, there has been significant interest in using dielectric nanocavities for the controlled scattering of light, owing to the diverse electromagnetic modes that they support. For plasmonic systems, electron energy-loss spectroscopy (EELS) is now an e ...

2021

Atom-surface van der Waals potentials of topological insulators and semimetals from scattering measurements

Davide Campi

The phenomenology of resonant scattering has been known since the earliest experiments upon scattering of atomic beams from surfaces and is a means of obtaining experimental information about the fundamentals of weak adsorption systems in the van der Waals ...

2021

Evidence for a spin acoustic surface plasmon from inelastic atom scattering

Davide Campi

Closed-shell atoms scattered from a metal surface exchange energy and momentum with surface phonons mostly via the interposed surface valence electrons, i.e., via the creation of virtual electron-hole pairs. The latter can then decay into surface phonons v ...

Nature Research2021

Challenges and Applications to Operando and In Situ TEM Imaging and Spectroscopic Capabilities in a Cryogenic Temperature Range

Martial Duchamp, Vasiliki Tileli, Reinis Ignatans

In this Account, we describe the challenges and promising applications of transmission electron microscopy (TEM) imaging and spectroscopy at cryogenic temperatures. Our work focuses on two areas of application: the delay of electron-beam-induced degradatio ...

AMER CHEMICAL SOC2021

Waveguide modes spatially resolved by low-loss STEM-EELS

Duncan Thomas Lindsay Alexander

In an era of new developments in nanomaterials analysis enabled by the unprecedented spatial and energy resolutions of electron energy-loss spectroscopy in the scanning transmission electron microscope (STEM-EELS), it remains that the vast majority of work ...

2021

Advantages and Limitations of Surface Analysis Techniques on Plasma-Treated Arabidopsis thaliana Seeds

Alan Howling, Ivo Furno, Alexandra Waskow

Surface characterization of plasma-treated seeds has made significant progress over the last decade. Most papers in the literature use scanning electron microscopy (SEM) and contact angle goniometry to investigate surface modifications. However, very few p ...

2021