Polyphenylsilole multilayers - an insight from X-ray electron spectroscopy and density functional theory

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A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Ngoc Linh Nguyen, Giovanni Borghi, Riccardo De Gennaro

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Amer Chemical Soc2023

Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy

Majed Chergui

Free-electron lasers and high-harmonic-generation table-top systems are new sources of extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense, coherent and tunable. They are enabling a broad range of nonlinear optical and s ...

NATURE PORTFOLIO2023

Graphene nanoplatelets promoted CoO-based catalyst for low temperature CO2 methanation reaction

Andreas Züttel, Liping Zhong, Thi Ha My Pham, Youngdon Ko

Methanation of CO2 is an important reaction for reducing CO2 emissions in a power-to-gas system. Compared to cobalt supported on gamma-Al2O3, cobalt supported on graphene nanoplatelets (GNPs) showed significantly better performance for CO2 methanation. Cob ...

FRONTIERS MEDIA SA2023

Electromagnetic processes of nuclear excitation: from direct photoabsorption to free electron and muon capture

Simone Gargiulo

In the vast expanse of the Universe and on our planet, nuclei exist in a state of excitement. These excited nuclear states (isomers) can persist for varying periods, from fractions of a second to billions of years and beyond, before decaying to their groun ...

EPFL2023

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Jz -Yuan Juo

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

EPFL2023

Monitoring of Protein and pH Levels in Human Biofluids using FD-SOI Silicon Nanowire Arrays

Luca Capua

Medical research and technological advancements are heading towards tailored healthcare approaches that prioritize individual needs, allowing for more accurate diagnoses, more effective treatments, and better patient outcomes overall. One such approach is ...

EPFL2023

Materials engineering for improved stability of perovskite solar cells

Yeonju Kim

Halide perovskites have gained tremendous attention over the past decade, but the poor stability of perovskite solar cells (PSCs) under operating conditions hampers their practical application. This thesis investigates materials that can be used to enhance ...

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

Momentum-Space Imaging of Ultra-Thin Electron Liquids in δ-Doped Silicon

Gabriel Aeppli

Two-dimensional dopant layers (δ-layers) in semiconductors provide the high-mobility electron liquids (2DELs) needed for nanoscale quantum-electronic devices. Key parameters such as carrier densities, effective masses, and confinement thicknesses for 2DELs ...

WILEY2023

Coupled Rotary and Oscillatory Motion in a Second-Generation Molecular Motor Pd Complex

Lukas Pfeifer

Molecular machines offer many opportunities for the development of responsive materials and introduce autono-mous motion in molecular systems. While basic molecular switches and motors carry out one type of motion upon being exposed to an external stimulus ...

AMER CHEMICAL SOC2023

Unraveling the Effect of the Chemical and Structural Composition of ZnxNi1-xFe2O4 on the Electron Transfer at the Electrochemical Interface

Mallikarjun Madagalam, Sandro Carrara

In order to deepen the understanding of the role of transition metal oxides in electron transfer at the electrochemical interface, the performance of ZnxNi1-xFe2O4 (x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials in electrochemical sensing is studied. Nanomate ...

WILEY2023