Jens K. Nørskov

TL;DR: An overview of a collaborative experimental and theoretical effort toward efficient hydrogen production via photoelectrochemical splitting of water into di-hydrogen and di-oxygen is presented in this article, where state-of-the-art experimental studies using hematite and TiO(2) functionalized with gold nanoparticles as photoanode materials, and theoretical studies on electro and photo-catalysis of water on a range of metal oxide semiconductor materials, including recently developed implementation of self-interaction corrected energy functionals.

TL;DR: In this article, the effect of coverage, strain, and electric field on CO-CO coupling energy on Cu (100), (111), and (211) was investigated with a Pourbaix analysis.

TL;DR: In this paper, trends in the reactivity of transition metals are discussed on the basis of density functional theory (DFT) calculations using Volcano type relations between the catalytic rate and adsorption energies of important intermediates and the effect of adsorbate-adsorbate interaction on the trends is discussed.

TL;DR: In this paper, the authors present density functional theory (DFT) calculations for CO hydrogenation on different transition metal surfaces, and scaling relations of adsorbates and transition states that link their energies to only two descriptors, the carbon oxygen binding energies, are constructed.

TL;DR: In this paper, the effect of adsorbate-adsorbate interactions on the catalysts for CO methanation is investigated, and the results show that for transition metals that have low coverages of reactants, the effect is minimal.