Richard Catlow: Computer modelling as a predictive tool in materials and catalytic science
YUCOMAT 2023
Prof Dr Yury Gogotsi.
YUCOMAT 2023
Nemanja Barac, Vukašin Ugrinović, Jovan Lukić, Veljko Đokić, Željko Radovanović, Tamara Matić, Jana Petrovicć
YUCOMAT 2023
Audience
YUCOMAT 2023
Audience
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
YUCOMAT 2023
prof Dragan Uskokovic, prof Yury Gogotsi, prof Knut Urban MRS Serbia award
YUCOMAT 2023
prof Petar Uskokovic YUCOMAT AWARDS, Ievgen Solodky
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
Herceg Novi, Montenegro, 2023
YUCOMAT 2023
best oral presentations awardees
YUCOMAT 2023
Prof dr Mario Ferreira
YUCOMAT 2023
prof dr Maksym Pogorielov and prof dr Yury Gogotsi
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Prof dr Markus Antonietti discussion.
YUCOMAT 2023
prof dr Dongyuan Zhao lecture discussion
YUCOMAT 2023
Herceg Novi, Montenegro
YUCOMAT 2023
Herceg Novi, Montenegro
YUCOMAT 2023
Herceg Novi, Montenegro
YUCOMAT 2023
audience
YUCOMAT 2023
prof dr Vladimir Torchilin, prof dr Samuel Stupp
YUCOMAT 2023
Herceg Novi, Montenegro
YUCOMAT 2023
Tamara Matić lecture discussion
YUCOMAT 2023
Herceg Novi, Montenegro
YUCOMAT 2023
Herceg Novi, Montenegro

Richard Catlow

 

Department of Chemistry, University College London; School of Chemistry, Cardiff University; UK Catalysis Hub, Research Complex at Harwell, UK

 

We will describe how the concerted use of modelling techniques especially in conjunction with synchrotron and neutron based experimental methods can yield unique information on structures, dynamics and mechanism in a range of catalytic and energy materials. Our discussion will concentrate on the following systems:

  • The structures and reactivities of oxide supported nano-particulate catalysts, including insights in the re-structuring of nano-particles during catalytic reactions, where we will highlight recent computational-experimental studies.
  • The dynamics and reactivities of sorbed hydrocarbons in microporous catalysts.
  • The activation of hydrocarbons and carbon dioxide on oxide surfaces, where we shall emphasise the information on key mechanistic aspects revealed by recent QM/MM modelling studies.
  • The electronic structure and band alignment of titania polymorphs

We will also consider other areas of materials and catalytic science where the synergistic use of modelling with synchrotron based and other experimental techniques could be fruitfully applied.

Plenary lectures - YUCOMAT 2019

member since 2008