Feb 8, 2018 · One of the most widely accepted ideas resulting from several decades of research on stepped surfaces is that the low-coordinated atoms in the step have an increased ability to dissociate adsorbing molecules.

Aug 18, 2017 · Stepped surfaces generally refer to surfaces (of a particular index) which have 'steps' like a flight of stairs. A cursory search on google images can yield some useful examples, such as this one: As you can see from the example, a stepped surface will be a surface which includes steps which go from one layer to the next.

Feb 28, 2024 · Here, using stepped Pt (111) surfaces and the electrochemical oxygen reduction reaction (ORR) as examples, we demonstrate that the root cause of larger errors and uncertainties is a simplified...

Jan 1, 1994 · Simple stepped surfaces The first step in developing a description of the surface tension based on the properties of steps is to assume that there are cusps in the surface tension at a relatively small number of low index orientations, and that between these orientations, the surface tension varies smoothly.

May 23, 2024 · We explored the influence of the active site geometry on the dissociation activity of CO by investigating the electronic structure of CO adsorbed on 12 different Co sites and correlating its electronic structure features to the corresponding C–O dissociation barrier.

Most fiindamental surface science investigations employ single-crystal samples cut along a low- index plane. The single-crystal surface is prepared to be nearly atomically flat. The surface may also be modified in vacuum.

Stepped surfaces are very important for many surface properties. For the most ideal surface it is desirable to have a step-free surface, which has to be varified experimentally or a density of steps has to be indicated.

Stepped Surfaces. Steps on vicinal surfaces are interesting because they represent a set of one-dimensional (ID) nanostructures. A regular step array is most often observed [155-158] though at low temperatures the energetic minimum can be a faceted surface [159]. The origin of …

In this chapter, we summarize how to construct a stepped surface model within the context of periodic boundary condition electronic structure calculations, and which geometric and electronic structure quantities of surfaces are evaluated in our analysis.

Apr 13, 2017 · Our results provide important insights into the stability and electronic properties of molecules adsorbed on stepped metal surfaces, which could help in designing more appropriate interfaces with low work functions for electron transfer. …