A post-doc (1 year) position in the theoretical chemistry group of Leiden University.
Nano-size effects on hydrogen uptake in NaAlH4.
A post-doc (1 year) position is available immediately, in the theoretical chemistry group of Leiden University.
The research will focus on nano-size effects on hydrogen uptake in NaAlH4. Experiments have shown that confining the size of NaAlH4 by including the material in a nano-graphitic carbon matrix makes the hydrogen release and re-uptake reversible in the absence of Ti. This raises the question of how di-hydrogen is dissociated in the absence of a TM catalyst, as macroscopic Al is an extremely poor catalyst for dissociating H2. Earlier work in which we have also participated has shown that H2 may readily dissociate on small Al-clusters, but only if they have a very specific size. The aim of the project is to investigate whether putting the Al-clusters on graphite-like surfaces (graphene) will alleviate this specific size effect, i.e, whether a greater variety of small Al clusters will enable H2 dissociation if these clusters are put on a graphene surface.
The project is funded by CW/ACTS, through their Hydrogen program. The project will be supervised by Profs. Marc van Hemert and Geert-Jan Kroes.
Requirements:
Applicants for the post-doc position should have a Ph.D. in Chemistry or Physics, and have experience with computational methods relevant to molecule-surface interactions. Experience with the use of a plane wave DFT code will be counted as a plus. The position is open to all nationalities.
Appointment:
The appointment will be for a period of 1 year. The starting date is flexible up to 1 July 2012.
Applications:
To be considered for the project, applicants should send an application letter, CV, and publication list, and should arrange themselves that three letters of recommendation are sent to Prof. Dr. Geert-Jan Kroes, by email (g.j.kroes(a)chem.leidenuniv.nl). Selection of candidates will start on January 16 2012 and will continue until the position is filled.
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