86 citations · 205 across the 12 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 13 cited
Tuning the workfunction of ZnO through surface doping with Mn from first-principles simulations
Andreas Douloumis, Nikolaos R. E. Vrithias, Nikos Katsarakis +2
Surface doping of ZnO allows for tailoring the surface chemistry of the material while preserving the superb electronic structure of the bulk. Apart from obvious changes in adsorpt…
cond-mat.mtrl-sci2022★ 4 cited
Machine Learning for the edge energies of high symmetry Au nanoparticles
Emmanouil Pervolarakis, Georgios A. Tritsaris, Phoebus Rosakis +1
We present data-driven simulations for gold nanostructures, and develop a model that links total energy to geometrical features of the particle, with the ultimate goal of deriving…