63 citations · 314 across the 10 of their papers we have counts for
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Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
Daniel J. Cole, Mike C. Payne, Lucio Colombi Ciacchi
The adsorption of a collagen fragment on both a hydrophobic, hydrogen-terminated and a hydrophilic, natively oxidised Si surface is investigated using all-atom molecular dynamics.…
Density functional theory study of Fe(II) adsorption and oxidation on goethite surfaces
Benedict Russell, Mike C. Payne, Lucio Colombi Ciacchi
We study the interactions between Fe(II) aqua complexes and surfaces of goethite (alpha-FeOOH) by means of density functional theory calculations including the so-called Hubbard U…
Stress-driven oxidation chemistry of wet silicon surfaces
Lucio Colombi Ciacchi, Daniel J. Cole, Mike C. Payne +1
The formation of a hydroxylated native oxide layer on Si(001) under wet conditions is studied by means of first principles molecular dynamics simulations. Water molecules are found…