25 January 2017 1 3K Report

In the diagrams, A...B* denotes the co-adsorbed state of species A and B, and A* + B* denotes the infinite separations with each adsorbate (A* or B*) in separate unit cell at its most stable position. 

Whether the difference value of EA…B* and EA* + EB* can be calculated in following equation:

E = EA…B* + E* - EA* - EB*

EA…B*:A…B co-adsorption energy

E*:surface with no molequle adsorption

EA*:A single adsorption

EB*:B single adsorption

Additionally, can you explain last step in the Fig.1 ?

More Peixin Li's questions See All
Similar questions and discussions