EPSRC Grant for Marco Conte and Grant Hill

A grant from EPSRC has been awarded to Dr. Marco Conte, lecturer in Physical Chemistry from the department, for the investigation of selective oxidation reactions using microporous metal oxides.

First Grant MC

The aim of this project is to use molecular oxygen as oxidant for the selective oxidation of hydrocarbons using metal oxide frameworks, by replicating features that are typical of enzymes. The Department of Chemistry at Sheffield is involved in the preparation and testing of these materials, and their characterization by means of in situ X-ray diffraction techniques.

This research project is in collaboration with the Leibniz Institute of Catalysis (Rostock, Germany) for the investigation of materials by in situ solid state EPR methods, as well as the University of Newcastle for surface methods of analysis. More details can be found here.

First Grant JGHEPSRC has also awarded a grant to Dr Grant Hill, a lecturer in Theoretical Chemistry from the Department of Chemistry, to investigate potential energy surfaces for the chemistry of cold matter. When atoms and molecules are cooled to temperatures very close to absolute zero their behaviour becomes dominated by the bizarre effects of quantum mechanics, making them vital resources for new technologies such as quantum computers and sensors for detecting natural resources.

The aim of this project is to develop the theoretical tools necessary to learn how to cool a wide variety of atoms and molecules to the required temperatures, increasing both the accuracy and the efficiency of computer simulations. This information will then be used to guide experimental efforts in the right direction. Objectives for this project include the development of quantum chemistry basis sets for the heavy alkali and alkaline earth elements, the design of a computational protocol for calculating cold matter potential energy surfaces, and application of the tools to theoretically investigate the cooling of molecules of topical experimental interest.

Further details can be found here on the EPSRC website.