Tag: catalysis
A rigorous model of electron attachment in lanthanide atoms
Understanding the physical mechanism underlying negative ion formation in low-energy electron collisions with lanthanide atoms is of fundamental importance in physics and chemistry. It also has important implications for a wide range of applications, from catalysis to drug delivery and water purification. Unfortunately, the complexity of the interactions among electrons in lanthanides has for a long time made it virtually […]
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High entropy to power a high energy world
Scientists are continuously searching for new materials whose properties may solve the toughest challenges of our heavily technological society. To tackle the need for longer-lasting energy storage, for example, Dr Ben Breitung, Dr Torsten Brezesinski and their teams at the Karlsruhe Institute of Technology (KIT) are developing high-entropy materials by diversifying the composition of crystal structures. The properties of these […]
Quantum molecular modelling for efficient chemical synthesis
Computer Aided Design informs the world around us, but it has taken a long time to have a significant impact on the chemical synthesis industry. Professor Martín Jaraíz at the University of Valladolid in Spain has proposed a novel approach to using a quantum mechanical tool called Density Functional Theory (DFT) in combination with microkinetic modelling to more accurately predict […]
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Designing catalysts bit by bit
Catalysis, using reagents to speed up chemical reactions, is big business. From synthesising new chemicals to cleaning up the exhaust fumes from cars and sustainable energy devices such as hydrogen fuel cells, catalysts play a huge role in our daily lives. Prof Roy L. Johnston and Dr Francesca Baletto at the University of Birmingham and King’s College London respectively are using novel computational approaches […]
Cleaner pathways to chemical synthesis via new generation catalysts
The synthesis and manufacture of chemicals, and chemical products, has typically relied on petroleum-based feedstocks. Even hydrogen, often hailed as a ‘clean fuel’ and an important component in many chemical reactions, is sourced from such feedstocks. However, Professor Mark Keane’s research at Heriot-Watt University is developing methods for clean chemical production from alternative, renewable feedstocks. To achieve this, he is designing and developing new […]
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