“Hot Electron Chemistry”
Photochemistry at metal surfaces is uniquely different from solution-based photochemistry. Low-lying electronic excitations in metals, so called hot electrons, have recently been found to strongly couple with molecular adsorbates giving rise to unconvential energy transfer mechanisms. This molecule-metal energy transfer can adversely affect or selectively control chemical reactions in the context of single molecule nanotechnology, ultrafast dynamics, and photo-catalysis. In this talk, I will show how ab-initio electronic structure methods are able to characterize such chemistry via accurate prediction of interface structure, spectroscopy, and reactivity. At hand of examples, I will explain how recently developed simulation methods enable the study of electron- and light-driven chemical transformations at surfaces.