Jens K. Nørskov

TL;DR: In this article, the vibrational properties of the (111) surface of aluminum and nickel and all the low-index surfaces of copper are examined and the surface phonon spectrum is calculated using the effective medium theory to get the total energy and forces of the metallic system.

TL;DR: In this article, the authors used density functional theory calculations to study intermediates in the electroreduction of methanediol on copper, and they found that methanenediol, which is the hydrated form of formaldehyde, may be reduced to methanol with a limiting potential close to the experimental onset for reduction of aqueous formaldehyde.

TL;DR: In this paper, the authors established the full potential energy diagram for the direct NO decomposition re-action over stepped transition-metal surfaces by combining a database of adsorption energies on stepped metal surfaces with known Bronsted-Evans-Polanyi (BEP) relations for the acti- vation barriers of dissociation of diatomic molecules over step transition-and noble-metal surface.

TL;DR: Time-resolved soft X-ray spectroscopy at a free-electron laser is applied to directly observe the decreased bonding-antibonding splitting following bond-activation using an ultrashort optical laser pulse.

TL;DR: In this article, the authors discuss how to describe catalysis by enzymes, and in particular the analogies between enzyme catalyzed reactions and surface-catalyzed reactions, and show that although analogies exist and the two kinds of catalyst can be described by similar tools, nature and human effort have come up with different solutions, which implies that new and improved catalysts may be made by learning from nature.