Thioether-Functionalized Quinone-Based Resorcin[4]arene Cavitands: Electroswitchable Molecular Actuators

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Element- and enantiomer-selective visualization of molecular motion in real-time

Majed Chergui, Malte Oppermann, Jérémy Raymond Jean Maurice Rouxel

Ultrafast optical-domain spectroscopies allow to monitor in real time the motion of nuclei in molecules. Achieving element-selectivity had to await the advent of time resolved X-ray spectroscopy, which is now commonly carried at X-ray free electron lasers. ...

Nature Portfolio2023

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

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

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

CEERS Key Paper. VI. JWST/MIRI Uncovers a Large Population of Obscured AGN at High Redshifts

Michaela Hirschmann

Mid-infrared (mid-IR) observations are powerful in identifying heavily obscured active galactic nuclei (AGN) that have weak emission in other wavelengths. Data from the Mid-Infrared Instrument (MIRI) on board the James Webb Space Telescope provides an exce ...

2023

Surface Passivation of FAPbI3-Rich Perovskite with Cesium Iodide Outperforms Bulk Incorporation

Michael Graetzel, Jacques-Edouard Moser, Shaik Mohammed Zakeeruddin, Mounir Driss Mensi, Jun Ho Yum, Kevin Sivula, Thomas Paul Baumeler, Essa Awadh R Alharbi, Brian Irving Carlsen, Jing Gao, George Cameron Fish, Felix Thomas Eickemeyer, Lukas Pfeifer, Georgios Kakavelakis

Metal halide perovskites (MHPs) have shown an incredible increase in efficiency, reaching as high as 25.7%, which now competes with traditional photovoltaic technologies. Herein, we excluded CsX and RbX (X = I–, Br–, Cl–), the most commonly used cations to ...

2023

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

Hydrogenated amorphous silicon high flux x-ray detectors for synchrotron microbeam radiation therapy

Sylvain Dunand, Nicolas Würsch

Objective. Microbeam radiation therapy (MRT) is an alternative emerging radiotherapy treatment modality which has demonstrated effective radioresistant tumour control while sparing surrounding healthy tissue in preclinical trials. This apparent selectivity ...

IOP Publishing Ltd2023

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

2023 Roadmap on molecular modelling of electrochemical energy materials

Alfredo Pasquarello, Chunmin Zhang, Assil Bouzid

New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...

Iop Publishing Ltd2023

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Francesco Aquilante

The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments sp ...

Washington2023