Ibrahim A. I. Suleiman

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The effect of chlorine (Cl) chemisorption on the energetics and atomic structure of the Cu(001) surface over a wide range of chlorine pressures and temperatures has been studied using equilibrium ab initio atomistic thermodynamics to elucidate the formation of cuprous chloride (CuCl) as part of the Deacon reaction on copper metal. The calculated surface(More)
A NUMBER of groups of Lie type have so-called 'exceptional covers', that is, there is a non-trivial p-part to their Schur multiplier, where p is the defining characteristic of the group. One particularly interesting case is the unitary group U6(2), which has, in addition to its 'generic' multiplier of 3 and outer automorphism group 53, a further 2 of(More)
Density functional theory together with ab initio atomistic thermodynamics has been utilized to study the structures and stabilities of the low index CuCl surfaces. It is shown that the Cl-terminated structures are more stable than the Cu-terminated configurations, and that the defective CuCl(110)-Cu structure is more stable than the stoichiometric(More)
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