Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces.

Erratum: Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces [Phys. Rev. Lett. 116, 217601 (2016)].

This corrects the article DOI: 10.1103/PhysRevLett.116.217601.

Ab-initio tensorial electronic friction for molecules on metal surfaces: nonadiabatic vibrational relaxation

Molecular adsorbates on metal surfaces exchange energy with substrate phonons and low-lying electron-hole pair excitations. In the limit of weak coupling, electron-hole pair excitations can be seen as exerting frictional forces on adsorbates that enhance energy transfer and facilitate vibrational relaxation or hot-electron mediated chemistry. We have recently reported on the relevance of tensor...

Supporting Information for: The Role of Tensorial Friction in Nonadiabatic Energy Loss at Metal Surfaces

Energy transfer at metal surfaces: the need to go beyond the electronic friction picture

Interactions of molecules at metal surfaces can result in energy exchange with the electrons of the metal. This complicates theoretical strategies designed to simulate surface reactivity, most of which today are based on the Born–Oppenheimer approximation. One widely applied electronically nonadiabatic theory designed to make the leap beyond the Born–Oppenheimer approximation is ‘‘molecular dyn...

Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H_{2} on Ag(111).

Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on the fly from density functional theory, we find strong mode dependence and a dominance of nonadiabatic energy loss along the bond stretch coordinate for scattering and dissociative chemisorption of H_{...