Bjørk Hammer

TL;DR: In this paper, a linear dependence of the exchange rate of CO under different partial pressures of CO (p co) in argon was observed and a change in surface coverage of CO with different CO pressures and a subsequent reduction in the CO binding energy as demonstrated by Density Functional Theory (DFT) calculations.

TL;DR: Using the interplay between high-resolution scanning tunneling microscopy and density functional theory calculations, it is shown that the mobile G molecules on Au(111) can effectively coordinate with the K atoms, resulting in a metallosupramolecular porous network that is stabilized by a delicate balance between hydrogen bonding and metal-organic coordination.

TL;DR: Hydrogenation at elevated sample temperatures provides a pathway to efficient band gap engineering in graphene via the selective functionalization of specific regions of the moiré structure.

TL;DR: The subject of hydrogen diffusion on metal surfaces has been a subject of great interest, both theoretically and experimentally, due to the pronounced quantum behavior at low temperatures as mentioned in this paper, and has been studied extensively in the literature.

TL;DR: In this article, a density functional theory study of a chemical reaction at a three-phase boundary is presented, where the three phases are the gas phase of the reactants and products, an adsorbate covered metallic catalyst surface phase, and an oxidized catalyst surface surface phase.