A cluster density functional theory study of the interaction of the hydrogen storage system NaAIH4 with transition metal catalysts
Marashdeh, A.A.
Citation
Marashdeh, A. A. (2008, March 5). A cluster density functional theory study of the interaction of the hydrogen storage system NaAIH4 with transition metal catalysts.
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Curriculum Vitae
Ali Awad Marashdeh
I was born on 1 March 1973 in Ramtha, Jordan. I passed the general secondary education examination (Tawjihi) in 1991. In 1991, I started my undergraduate study at Yarmouk University in the faculty of science to study chemistry. I obtained my B.Sc. degree in chemistry in 1995. After that I worked in different fields for two years. In September 1997, I started my master study in Mu'tah University in the chemistry department. I finished the master courses in 1999. I worked my master project under the supervision of Professor Salim Khalil in theoretical chemistry. My research involved a theoretical study of Keto-Enol tautomerism of substituted acyclic and cyclic propanones (XCH2COCH3 and XCH2COCH2) and the influence of different substitutes (X = H, F, OH, CN, NH2, NO2, CH3, CF3, OCH3) on the stability of either the keto or enol form. All substituents were found to decrease the stability of the keto form, particularly in the case of electron withdrawing capacity (e. g. NO2 and CF3).
On 1 February 2004, I moved to the theoretical chemistry group at the Leiden Institute of Chemistry (LIC), Leiden University, to work as a PhD student under the direct supervision of Dr. R. A. Olsen and Prof. dr. G. J. Kroes, where I am till now.
My research focuses on the theoretical modeling of the storage of hydrogen in NaAlH4. The aim is to determine the role played by catalysts like Ti, Zr, Sc, Pd and Pt.
During my PhD research, I have attended several conferences and workshops at which I presented my work. I have attended the winter school “Theoretische Chemie en Spectroscopie” which was held in Belgium twice, in 2004 and 2005. I have attended the winter school MSSC2004, Ab Initio Modeling in Solid State Chemistry”
at Imperial Collage in London in 2004. I have attended a Gordon conference (Hydrogen-Metal Systems, in 2005) and “MH2006”, the International Symposium on Metal-Hydrogen Systems which was held in Hawaii in 2006. I attended the International Workshop on Functional Materials for Mobile Hydrogen Storage which was held in Hamburg in 2006. Here in the Netherlands I attended the 1st EU Network
Hydrogen2 Meeting SRTCA which was held at Shell in 2007. I have been to the ACTS meetings five times and to the “Spectroscopie en Theorie” national conference in Lunteren four times. I have also attended three “HRSMC” symposiums. In December 2006, I visited both the Centre for Materials Science and Nanotechnology at University of Oslo and the Institute for Energy Technology at Kjeller, where I gave talks about my work.
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Publication list
• A Theoretical Study of Substituted Stepwise Fluorinated Cyclopropanone Keto- Enol System. El-Alali, A.; Marashdeh, A. A.; Khalil S. M. Z. Naturforsch 2003, 58a, 749–755.
• A density functional theory study of Ti-doped NaAlH4 clusters. Marashdeh, A.;
Olsen, R. A.; Løvvik, O. M.; Kroes, G.-J. Chem. Phys. Lett. 2006, 426, 180–186.
• NaAlH4 Clusters with Two Titanium Atoms Added. Marashdeh, A.; Olsen, R. A.;
Løvvik, O. M.; Kroes, G.-J. J. Phys. Chem. C 2007, 111, 8206–8213.
• A density functional theory study of the TiH2 interaction with a NaAlH4 cluster.
Marashdeh, A.; Olsen, R. A.; Løvvik, O. M.; Kroes, G.-J., submitted.
• Zero point energy corrected dehydrogenation enthalpies of Ca(AlH4)2, CaAlH5 and CaH2+6LiBH4, Marashdeh, A.; Frankcombe, T. J., submmited.
• Why Some Transition Metals are Good Catalysts for Reversible Hydrogen Storage as Sodium Alanate, and Others do not: A Density Functional Theory Study.
Marashdeh, A.; Versluis, J. W.; Olsen, R. A.; Løvvik, O. M.; Kroes, G.-J., in preparation.
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Acknowledgment
All praise is due to Allah SWT with his compassion and mercifulness to give me health, patience, hearing, sight, heart, mind and knowledge. By which I manage to understand the beauty of sciences as I learned in this thesis.
This dissertation would not be finished without the support, encouragement and help of many people who I appreciate.
My mother (Fatima), she was with me in every single step of my life. Her courage and invocations were the energy suppliers to me in all my life until the last minutes in her life. My father, he gave me the courage and support. Until now, I have gotten all the support, kindness and patience from my lovely wife. My daughter is the source of happiness in my life. I want to thank also my brothers, sisters and all my family members.
The collaboration with Ole Martin Løvvik at the University of Oslo and fruitful scientific discussions with him have influenced significantly my thesis. Terry Frankcombe has helped me to work with the VASP and PHONON codes to make the periodic calculations. I thank my colleagues in the theoretical chemistry group for the scientific discussions that taught me many things that helped me during my research.
