Austritt negativer Elektronen aus reagierenden Metallen

Role of Hot Electrons and Metal–Oxide Interfaces in Surface Chemistry and Catalytic Reactions

“…1,2 Haber and Just found that the reaction of gases on alkali metals and alloys leads to electron emission. 3,4 Since the development of high vacuum technology, studies on gas adsorption (e.g., magnesium−oxygen reaction and related light emission on clean metallic surfaces) revealed electron-, ion-, and photon-emission during gas−solid reactions. 5−7 Later, Norskov et al employed a correlation diagram that originated from gas-phase experiments to explain surface chemiluminescence.…”

“…Exothermic reactions lead to the emission of particles during nonadiabatic gas/surface reactions. These nonthermal excitations include exoelectron emission, surface chemiluminescence, vibrational state populations, and ion/atom emission (abstraction). , Haber and Just found that the reaction of gases on alkali metals and alloys leads to electron emission. , Since the development of high vacuum technology, studies on gas adsorption (e.g., magnesium–oxygen reaction and related light emission on clean metallic surfaces) revealed electron-, ion-, and photon-emission during gas–solid reactions. − Later, Norskov et al employed a correlation diagram that originated from gas-phase experiments to explain surface chemiluminescence …”

Auto-ionised products from the reaction of sodium clusters with dioxygen: Theory and experiment

“…In order to study reaction (1) we use DFT to calculate a BornÈOppenheimer PE hypersurface for classical MD, an approach termed ab initio MD (AIMD).37 Rather than the costly procedure of generating and Ðtting a PE surface, PE and gradients are evaluated directly as needed during the simulation. While the nuclei pocess kinetic energy (KE), the electronic wavefunction is converged fully at each DFT step, so that nuclear motion should be on the BornÈOppenheimer hypersurface (however, see section 3.3).…”

“…Fig.8compares reaction energies for the neutral and cationic products of reaction(1), classiÐed according to section 5.2. From left to right in the Ðgure, *E becomes progressively more negative with size of oxide product (for each class of product).…”