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Artist's impression: Using X-ray pulses, an international team of researchers investigated how gold reacts with hydrogen and forms what is called gold hydride.

Gold can do more than glitter - researchers create novel gold compound at the European XFEL

Gold is considered one of the most unreactive metals. However, under pressure conditions such as those found in the Earth's interior, something happens to the precious metal. Researchers at the High Energy Density (HED) experimental station at European XFEL compressed gold to over 40 gigapascals (GPa) using a diamond stamp cell and heated it to around 2,500 degrees Celsius with ultra-short flashes from the European XFEL X-ray laser. Under these conditions, the gold reacted wi

Chemistry

Aug 13, 20253 min read

Illustration of a prediction challenge, in which “blind” simulations of a light-activated reaction were compared to experimental data. (Top) 15 different theory groups predicted the experimental signatures of a photochemical reaction and published their results in separate papers. (Center, left to right) The reaction under investigation was the breakdown of cyclobutanone after it was hit by a flash of light. (Bottom) In an ultrafast electron diffraction experiment, in which highly energetic electrons scatter off a sample, producing a scattering pattern like the one shown here, SLAC researchers were then able to determine which simulation approaches worked best.

SLAC researchers help organize community challenge to benchmark molecular simulations with experiments

“There are a lot of different simulation methods that make different approximations, and they all provide slightly different results,” said Thomas Wolf. “The excitement is that this data can be used to unambiguously evaluate simulations.”

Chemistry

Jul 17, 20254 min read

The Nano-Burger in action: the two “halves' of the platinum-rhodium catalyst interact with reagents in this simulation.

Nanoburgers with promising flaws

DESY team finds surprising defects in tiny metal particles, which could stimulate the development of more efficient catalysts

Chemistry

Jun 30, 20253 min read

At the air-water interface, a negatively charged amino acid carries out a nucleophile attack on a gas molecule to convert it into a product. The reaction rate is enhanced due to significant reduction in the dynamical coupling of the solvent water with the reaction paths at the interface.

Supercomputer simulations show how to speed up chemical reaction rates

This new understanding of water’s role could help researchers develop methods to accelerate chemical reactions at the interface, potentially increasing their efficiency and productivity for industrial processes.

Chemistry

Jun 18, 20253 min read