Journal ArticleDOI
Reactions at surfaces: from atoms to complexity (Nobel Lecture).
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This article is published in Angewandte Chemie.The article was published on 2008-04-28. It has received 1019 citations till now.read more
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Towards the computational design of solid catalysts
TL;DR: The first steps towards using computational methods to design new catalysts are reviewed and how, in the future, such methods may be used to engineer the electronic structure of the active surface by changing its composition and structure are discussed.
Journal ArticleDOI
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles.
Lichen Liu,Avelino Corma +1 more
TL;DR: This Review will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities in a unifying manner.
Journal ArticleDOI
Density functional theory in surface chemistry and catalysis.
Jens K. Nørskov,Jens K. Nørskov,Jens K. Nørskov,Frank Abild-Pedersen,Frank Abild-Pedersen,Felix Studt,Felix Studt,Thomas Bligaard +7 more
TL;DR: The current status of the heterogeneous catalysts field is discussed with an emphasis on the role of coupling theory and experiment and future challenges.
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A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction
Egill Skúlason,Egill Skúlason,Thomas Bligaard,Thomas Bligaard,Thomas Bligaard,Sigridur Gudmundsdottir,Felix Studt,Jan Rossmeisl,Frank Abild-Pedersen,Tejs Vegge,Hannes Jónsson,Hannes Jónsson,Jens K. Nørskov,Jens K. Nørskov +13 more
TL;DR: Density functional theory calculations were used in combination with the computational standard hydrogen electrode to calculate the free energy profile for the reduction of N(2) admolecules and N adatoms on several close-packed and stepped transition metal surfaces in contact with an acidic electrolyte.
Journal ArticleDOI
Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store
Masaaki Kitano,Yasunori Inoue,Youhei Yamazaki,Fumitaka Hayashi,Shinji Kanbara,Satoru Matsuishi,Toshiharu Yokoyama,Sung Wng Kim,Sung Wng Kim,Michikazu Hara,Hideo Hosono +10 more
TL;DR: Kinetic analysis with infrared spectroscopy reveals that C12A7:e(-) markedly enhances N(2) dissociation on Ru by the back donation of electrons and that the poisoning of ruthenium surfaces by hydrogen adatoms can be suppressed effectively because of the ability of C12 a7: e(-) to store hydrogen reversibly.
References
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Journal ArticleDOI
Oscillatory Kinetics in Heterogeneous Catalysis
Ronald Imbihl,Gerhard Ertl +1 more
TL;DR: In this paper, the main lines in the development of the whole field of oscillatory surface reactions are presented, and the phenomenology and mechanisms which give rise to oscillations are presented before the more complicated aspects of spatiotemporal self-organization and chaotic dynamics are discussed.
Book
Low Energy Electrons and Surface Chemistry
Gerhard Ertl,J. Küppers +1 more
TL;DR: In this article, the basic concepts of Auger Electron Spectroscopy and X-Ray Photo Electromechanical Imaging (XPS) have been discussed, as well as their application in X-ray photoelectron spectroscopy.
Journal ArticleDOI
Spatiotemporal concentration patterns in a surface reaction: Propagating and standing waves, rotating spirals, and turbulence.
TL;DR: Laterally varying surface concentrations associated with the oscillatory oxidation of carbon monoxide on a Pt(110) surface were imaged by photoemission electron microscopy and a large variety of spatiotemporal patterns were observed.
Journal ArticleDOI
Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001)
Mischa Bonn,Stephan Funk,Christian Hess,Daniel N. Denzler,Catherine Stampfl,Matthias Scheffler,Martin Wolf,Gerhard Ertl +7 more
TL;DR: The presence of this laser-induced reaction pathway allows elucidation of the microscopic mechanism and the dynamics of the carbon monoxide oxidation reaction.