Darby, MT;
Piccinin, S;
Stamatakis, M;
(2016)
First principles-based kinetic Monte Carlo simulation in catalysis.
In:
Physics of Surface, Interface and Cluster Catalysis.
(4.1-4.38).
IOP: Bristol, UK.
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Abstract
Catalysis is a multibillion dollar industry, with over 80% of industrial processes involving a catalyst of some form. In industrial practice more than 90% of these catalysts are heterogeneous and are employed to improve the efficiency, lower the costs and reduce the environmental impact of a process. Unsurprisingly, research into the discovery and development of heterogeneous catalysts is blossoming. The desire to maximize the efficient use of energy and raw materials, both from an economic and an environmental perspective, has fueled marked investment within the field.
| Type: | Book chapter |
|---|---|
| Title: | First principles-based kinetic Monte Carlo simulation in catalysis |
| ISBN-13: | 9780750311656 |
| DOI: | 10.1088/978-0-7503-1164-9ch4 |
| Publisher version: | https://doi.org/10.1088/978-0-7503-1164-9ch4 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1482126 |
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