Skip to main content
Go to the home page of the European Commission (opens in new window)
English English
CORDIS - EU research results
CORDIS
Content archived on 2024-05-07

Quantum-chemical studies of the catalytic properties of zeolites with density functional theory

Objective



Zeolites are important in many catalytic and separation processes in industry. For an optimal use of these catalytic properties it is necessary to gain a good knowledge about the structure of zeolites. Theory can help to explain the catalytic properties of zeolites. The group of Prof. J. Sauer (Berlin) has made many contributions to the explanation of the reactive behaviour of zeolitic catalysts with quantum-chemical calculations. To obtain reliable answers from these calculations one has to include electron-correlation effects. A new and attractive way to do this is density functional theory (DFT). The use of DFT should enable us to calculate much larger systems. As an Human-Capital-and-Mobility category 30 fellow in Cambridge I have worked in the group of Prof. N. C. Handy on functionals in DFT. I believe that my experience with DFT is such that I can make a useful contribution to the research of the Sauer group.

Fields of science (EuroSciVoc)

CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.

You need to log in or register to use this function

Programme(s)

Multi-annual funding programmes that define the EU’s priorities for research and innovation.

Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

Data not available

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

RGI - Research grants (individual fellowships)

Coordinator

Max-Planck-Gesellschaft zur Förderungder Wissenschaften e.V.
EU contribution
No data
Address
5,Rudower Chaussee 5
12489 Berlin
Germany

See on map

Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

No data

Participants (1)

My booklet 0 0