Time-resolved in situ methods for design of catalytic sites within sustainable chemistry
Research Project
, 2013
– 2017
The aim of the project is to address important catalytic processes for production of sustainable fuels. Information from novel time-resolved in situ synchrotron methods will be combined with theoretical modeling to study the three challenging scientific cases: (a) photocatalytic synthesis of hydrogen from water splitting via homogeneous and heterogeneous catalytic routes, (b) catalytic hydrogenation of carbon dioxide to methanol and (c) functionalised zeolitic frameworks for direct synthesis of methanol from bio-methane. Advanced catalyst structure-function correlation experiments will be performed using X-ray spectroscopy and high-energy X-ray diffraction. Specifically a new X-ray emission spectrometer infrastructure and infrared spectroscopy set-up will be created. Density-functional theory (DFT) for first-principles calculations and kinetic Monte Carlo (kMC) simulations will be used as well. The research will pave the way for future in situ studies in material science in large using XES and HE X-ray methods.
Participants
Per-Anders Carlsson (contact)
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
Anders Hellman
Chalmers, Physics, Chemical Physics
Magnus Skoglundh
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Collaborations
Deutsches Elektronen-Synchrotron (DESY)
Hamburg, Germany
Lund University
Lund, Sweden
MAX IV Laboratory
Lund, Sweden
Padernborn University
Paderborn, Germany
Funding
Swedish Research Council (VR)
Project ID: 2013-567
Funding Chalmers participation during 2013–2016
Related Areas of Advance and Infrastructure
Sustainable development
Driving Forces
Nanoscience and Nanotechnology (SO 2010-2017, EI 2018-)
Areas of Advance
Transport
Areas of Advance
Energy
Areas of Advance
Basic sciences
Roots
Materials Science
Areas of Advance