37 citations · 101 across the 4 of their papers we have counts for
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Modelling the onset of oxide formation on metal surfaces from first principles
Lucio Colombi Ciacchi
The formation of ultrathin oxide layers on metal surfaces is a non-thermally-activated process which takes place spontaneously at very low temperatures within nanoseconds. This pap…
Stress Development and Impurity Segregation during Oxidation of the Si(100) Surface
Daniel J. Cole, Mike C. Payne, Lucio Colombi Ciacchi
We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on densit…
Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces
Arezoo Dianat, Janina Zimmermann, Nicola Seriani +3
The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles…