T
Ture R. Munter
Researcher at Technical University of Denmark
Publications - 5
Citations - 1402
Ture R. Munter is an academic researcher from Technical University of Denmark. The author has contributed to research in topics: Transition metal & Density functional theory. The author has an hindex of 5, co-authored 5 publications receiving 1149 citations.
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Journal ArticleDOI
Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces.
Frank Abild-Pedersen,Jeffrey Greeley,Felix Studt,Jan Rossmeisl,Ture R. Munter,Poul Georg Moses,Egill Skúlason,Thomas Bligaard,Jens K. Nørskov +8 more
TL;DR: The scaling model is developed into a general framework for estimating the reaction energies for hydrogenation and dehydrogenation reactions and it is found that the adsorption energy of any of the molecules considered scales approximately with the adhesion energy of the central, C, N, O, or S atom.
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Trends in hydride formation energies for magnesium-3d transition metal alloys
TL;DR: In this paper, density functional theory was used to investigate the hydride formation in magnesium-3d transition metal (TM) alloys of potential interest as hydrogen storage media.
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BEP relations for N2 dissociation over stepped transition metal and alloy surfaces.
TL;DR: DFT calculations for N2 dissociation on stepped face-centred cubic (211) surface slabs suggest that the manifestation of BEP relations for surface reactions is a general electronic structure effect, and that geometric effects are responsible for the scatter which is normally observed around the BEP line.
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Virtual materials design using databases of calculated materials properties
TL;DR: This work utilizes a database of more than 81 000 electronic structure calculations for the determination of the Pareto-optimal set of binary alloy methanation catalysts with respect to catalytic activity and alloy stability.