Coverage effects on metal surfaces binding energetics. UBI-QEP Approach

Seminar paper from the year 2014 in the subject Engineering - Chemical Engineering, , language: English, abstract: This paper presents a unified formulation of the unity bond index-quadratic exponential potential method (UBI-QEP, formerly known as the BOC-MP method) for determining equilibrium coverage-dependent atomic binding energies as a result of coverage effect, the basic UBI-QEP parameters and correlation between local and global adsorbate coverage is briefly clarified, then coadsorption effects on reaction energetic on monometallic surfaces and most important cases of coverage effects on fcc(111) and fcc(100) surfaces is reviewed, the different metal atom and adatoms interactions are also looked at followed by their respective heats of adsorption at non-zero coverage limits i.e. metal atoms with identical adatoms, A and different adatoms, A and B, diadatoms AB, including a brief review on polyatomics.