Time-resolved in situ methods for design of catalytic sites within sustainable chemistry

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)

Docent at Chemical and Biological Engineering, Applied Surface Chemistry

Henrik Grönbeck

Professor at Applied Physics, Chemical Physics

Anders Hellman

Docent at Applied Physics, Chemical Physics

Magnus Skoglundh

Professor at Chemical and Biological Engineering, Applied Surface Chemistry

Collaborations

DESY

Hamburg, Germany

Lund University

Lund, Sweden

MAX IV Laboratory

Lund, Sweden

Padernborn University

Paderborn, Germany

Funding

Swedish Research Council (VR)

Funding years 2013–2016

Related Areas of Advance and Infrastructure

Materials Science

Area of Advance

Nanoscience & Nanotechnology

Area of Advance

Transport

Area of Advance

Energy

Area of Advance

Sustainable Development

Chalmers Driving Force

Basic Sciences

Chalmers Roots

More information

Latest update

2015-10-29