Computational catalysis, a field that simulates and accelerates the discovery of catalysts for chemicals production, has largely been limited to simulations of idealized catalyst structures that do not necessarily represent structures under realistic reaction conditions.
The search for renewable energy sources, which include wind, solar, hydroelectric dams, geothermal, and biomass, has preoccupied scientists and policymakers alike, due to their enormous potential in the fight against climate change.
In the electronics field, organic solar cells find a range of applications, particularly to develop novel electronic devices such as wearable devices.
Chirality is a fundamental property of many organic molecules and means that chemical compounds can appear in not only one form, but in two mirror-image forms as well.
Hokkaido University scientists have succeeded in synthesizing an a,a-difluoroglycine derivative, a type of a-amino acid, based on a reaction path predicted by quantum chemical calculations.
Researchers have identified key ingredients for producing high-value chemical compounds in an environmentally friendly fashion: repurposed enzymes, curiosity, and a little bit of light.
A group of Japanese scientists has developed an ultrastable, selective catalyst to dehydrogenate propane - an essential process to produce the key petrochemical substance of propylene - without deactivation, even at temperatures of more than 600 °C.
Using a unique combination of nanoscale imaging and chemical analysis, an international team of researchers has revealed a key step in the molecular mechanism behind the water splitting reaction of photosynthesis, a finding that could help inform the design of renewable energy technology.
Researchers of Peter the Great St.Petersburg Polytechnic University (SPbPU) approached the creation of a solid-state thin-film battery for miniature devices and sensors. The results of the study were published in the special issue dedicated to improved materials for lithium and sodium-ion batteries (Energies Journal, MDPI Publishing House).
Researchers at the Institute of Industrial Science, The University of Tokyo (UTokyo-IIS) used artificial intelligence to rapidly infer the excited state of electrons in materials.
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