63 citations · 100 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2009★ 63 cited
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…
cond-mat.mtrl-sci2009★ 37 cited
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…