PhD

2009

Author	Title	Month
Jens Strabo Hummelshøj	Computational investigation and design of coordination compounds for hydrogen storage	March

 

 

2008

Author	Title	Month
Ture Rønved Munter	Towards Catalysis Informatics - Materials design using Density Functional Theory	January
Anca Paduraru	Simulations of mechanical properties of CuZr and CuNg metallic glasses	February
Poul Georg Moses	Transition metal sulphide catalysts - A DFT study of structure and reactivity	May
Mikkel Strange	Structure and transport properties of atomic chains and molecules	July
Guido Walther	Methane oxidation on supported gold catalysts	September
Johannes Voss	Ab initio lattice dynamics of complex structures - Computational design of novel materials for hydrogen storage	December

 

 

2006

Author	Title	Month
Anders Andreasen	Hydrogen storage materials with focus on main group I-II element	January
Astrid Boisen	Study of Transition Metal Catalysts for use in Production of Hydrogen	August
Jakob Engbæk	Aspects of Hydrogen Storage and Hydrogen Production Hydrogen Production in ithium amide and lithium hydride and Dissociation of methane and CO on nickel steps and terrace sites	September
Christian R.H. Bahl	Magnetic properties of NiO nanoparticle	October
Søren Højgaard Jensen	Solid Oxide Electrolyser Cells	December

 

 

2005

Author	Title	Month
Kristian S. Thygesen	Structure and transport in nano-scale contacts	March
Frank Abild-Pedersen	Methane Activation on Ni model surfaces based on Density Functional Theory	July
Christopher W. Ostenfeld	A surface science approach to hydrogen storage	August
Ole Lytken	Dissociation of CO and methane on Ni(14 13 13) and A surface science approach to parallel screening - Hydrogen-deuterium exchange and CO poisoning an metal alloys	September
Michael Andersen	Implementation of in situ vibrational spectroscopy in studies of surface reactions on platinum	October
Anders Andreasen	Hydorgen storage materials with focus on main group I-II elements	October

 

 

2004

Author	Title	Month
Peter Hasselriis	Heterogeneous catalysts for asymmetric epoxidation reactions	September

 

 

2003

Author	Title	Month
Jan Hoffmann Jørgensen	Parallel screening of alloy model catalysts – a methodological approach	March
Jan Rossmeisl	Stability of beta-sheets – a DFT study	June
Anders Rønnau:	A closer look at the TiO2 surface with STM	July
Thomas Bligaard Pedersen	Understanding materials properties on the basis of Density Functional Theory calculations	August
Jesper Christiansen	Dislocations and interfaces	August
Søren Lund Frederiksen	An atomistic view on strength of bbc metals	October
Berit Hinnemann	Transition metal sulfides as biological and inorganic catalysts – a DFT study of nitrogenase and hydrodesulfurization	December

 

  2002

Author	Title	Month
Michael Schunack	Scanning tunneling microscopy studies of organic molecules on metal surfaces	January
Peter Thostrup	Bridging the pressure gap with scanning tunneling microscopy	July
Jeppe Vang Lauritsen	Atomic-scale study of a hydrodesulfurization model catalyst	August
Mikkel V. Bollinger	Structure and electronic properties of MoS2 and metallic nano-scale systems	September
Søren Kynde Nielsen	Current-voltage behavior of atomic-sized transition metal contacts	September
Angelika Kühnle	Molecular self-assembly and chiral recognition: Biologically relevant molecules on metal surfaces	November

 

 2001

Author	Title	Month
Ebbe Christoffersen	Adsorption induced segregation and step formation: a simulation study	February
Rasmus Carstensen Egeberg	Reactivity of Ru, Fe/Ru, and Ni/Ru model catalysts	April
Kim Højrup Hansen	Atomic-scale characterization of a model catalytic system:  Pd nanocrystals supported on Al2O3/NiAl(110)	May
Ashildur Logadottir	Density functional studies of ammonia synthesis on transition metal surfaces	August
Tejs Vegge	Atomistic simulations of dislocation processes in copper	August
Sune Rastad Bahn	Computer simulations in nanochains	September
Hanne Skov Bengaard	Steam reforming on Ni surfaces - A density functional study	December

 

   

2000

Author	Title	Month
Thomas Holm Rod	Density functional calculations and modeling of the biological ammonia synthesis	February
Kim Hansen	Electrical properties of atomic-sized metal contacts	May
Stig Helveg	Scanning tunneling microscopy studies on model systems relevant for heterogeneous catalysis	October

 

 

1999

Author	Title	Month
Line Sjolte Byskov	Hydrodesulfurization catalysts - a theoretical study	June
Lars Petersen	Scanning tunneling microscopy studies of the electronic structure of metal surfaces	August
Søren Dahl	N2 activation and NH3 synthesis over Ru, Fe, and Fe/Ru model catalysts	October
Henrik T. Lorensen	Adsorbate induced structures and self-diffusion on platinum surfaces	December

 

1998

Author	Title	Month
Torben Rasmussen	Atomic scale simulation of dislocation reactions	January
Jens jørgen Mortensen	A theoretical study of adsorption and dissociation on metal surfaces	February
Morten Østergaard Pedersen	Scanning tunneling microscopy studies of growth and adsorption on transition metal surfaces	July
Jane Hvolbæk Larsen	Reactivity of pure and modified surfaces - a supersonic molecular beam approach	September

 

1997

Author	Title	Month
Mads Brandbyge	Conductance of metal nanocontacts	April
Mads Reinholdt Sørensen	Computer simulation of nanotribology for metals	September
Trolle Rene Linderoth	Diffusion, nucleation and growth of Pt on Pt surfaces studied by Scanning Tunneling Microscopy	December

 

1996 

Author	Title	Month
Lars Pleth Nielsen	The nucleation and growth of Au on Ni surfaces: Surface alloying, dealloying, and interface structures	March
Joachim Jacobsen	An atomistic view of shape formation in metal epitaxial growth	March
Peter Mikal Holmblad	Kinetics and dynamics of CH4 dissociation on Ni(100), Ni(111) and Au/Ni(111) surface alloys	April
Lars Olesen	Experimental Investigation of the Junction in a Scanning Tunnelling Microscope	October
Asbjørn Christensen	Interatomic interactions in metals	November

 

1995

Author	Title	Month
Jakob Schiøtz	Molecular Dynamics of Mesoscopic Systems	January
Morten Foss	An X-ray diffraction study of Ni and Cu surface structures induced by sulphur and gold	October

 

1994

Author	Title	Month
Torben S. Askgaard	Catalytic Reaction Mechanisms	June
Kurt Stokbro	Effective-Medium Tight-Binding Theory	August
Casper Klink	Scanning Tunneling Microscopy Studies of C Adsorption on Ni Surfaces	December

 

 

1993

Author	Title	Month
Like Ruan	Scanning Tunneling Microscopy Studies of S Adsorption and Chemical Reactions on Cu and Ni Surfaces	December