Molecular orbitals determine stability

The results could also help industry to optimise the stability of coordination polymers

14-Feb-2024 - Carboxylic acid dianions (fumarate, maleate and succinate) play a role in coordination chemistry and to some extent also in the biochemistry of body cells. An HZB team at BESSY II has now analysed their electronic structures using RIXS in combination with DFT simulations. The results provide ...

Electron bubbles modelled from X-ray laser data

An international team of scientists uncovers a groundbreaking model for the effects of radiation in water systems

06-Feb-2024 - What happens when radiation hits water? This is a question that has an impact every time you get an X-ray at the doctor’s office, given you are mostly made of water. A team of theoretical physicists at DESY has worked on data taken by colleagues from Argonne National Laboratory in the US at the ...

Bane and boon of oxygen mediating the performance of nickel catalysts in dry reforming of methane

Fundamental insights into the processes occurring at the catalyst surface

22-Jan-2024 - Catalysis is one of the key technologies in the chemical industry and has a wide-reaching impact on various aspects of our daily lives, including plastics manufacturing, drug synthesis, and production of both fertilizers and fuels. It is estimated that over 90% of chemical products are nowadays ...

Watching a Bimetallic Catalytic Surface in Action

Such insight on working catalysts is only possible to obtain using state-of-the-art experimental techniques under reaction conditions

01-Sep-2023 - A team of researchers from the Department of Interface Science at the Fritz Haber Institute of the Max Planck Society addressed the question: what happens to a Ga-promoted Cu surface under reaction conditions required for the synthesis of methanol? They found complex structural transformations of ...

Calculating the "fingerprints" of molecules with artificial intelligence

16-Jun-2022 - With conventional methods, it is extremely time-consuming to calculate the spectral fingerprint of larger molecules. But this is a prerequisite for correctly interpreting experimentally obtained data. Now, a team at HZB has achieved very good results in significantly less time using self-learning ...

Three-dimensional View of Catalysts in Action

Operando X-ray Spectroscopy Brings New Opportunities for Materials and Reaction Diagnostics

18-Dec-2020 - For understanding the structure and function of catalysts in action, researchers of Karlsruhe Institute of Technology (KIT), in cooperation with colleagues from the Swiss Light Source SLS of Paul Scherrer Institute (PSI) in Switzerland and the European Synchrotron Radiation Facility (ESRF) in ...

Water is more homogeneous than expected

22-Feb-2019 - In order to explain the known anomalies in water, some researchers assume that water consists of a mixture of two phases even under ambient conditions. However, new X-ray spectroscopic analyses at BESSY II, ESRF and Swiss Light Source show that this is not the case. At room temperature and normal ...

Classic double-slit experiment in a new light

New X-ray spectroscopy method based on the classical double-slit experiment

22-Jan-2019 - An international research team led by physicists from Collaborative Research Centre 1238, 'Control and Dynamics of Quantum Materials' at the University of Cologne has implemented a new variant of the basic double-slit experiment using resonant inelastic X-ray scattering at the European ...

Controlling magnetism with electric fields

RUB- researchers make high-precision measurement possible with X-ray scattering

25-Aug-2011 - An international team of researchers from France and Germany has developed a new material which is the first to react magnetically to electrical fields at room temperature. Previously this was only at all possible at extremely low and unpractical temperatures. Electric fields are technically much ...