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It is shown that adsorption energy at semiconductor surfaces criticallydepends on the charge transfer to or from the adsorbed species. For theprocesses without the charge transfer, such as molecular adsorption of closedshell systems, the adsorption energy is determined by the bonding only. In thecase involving charge transfer, such as open shell systems like metal atoms orthe dissociating molecules, the energy attains different value for the Fermilevel differently pinned. The DFT simulation of adsorption of ammonia athydrogen covered GaN(0001) confirms these predictions: the molecular adsorptionis independent on the coverage while the dissociative process energy varies byseveral electronvolts.

Energy of adsorption at semiconducting surfaces with Fermi level differently pinned -- ab initio study