21 citations · 21 across the 1 of their papers we have counts for
3 papers
(Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature
Diego Guedes-Sobrinho, Weiqi Wang, Ian Hamilton +2
Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far fro…
Understanding the Clean Interface between Covalent Si and Ionic Al2O3
H. J. Xiang, Juarez L. F. Da Silva, Howard M. Branz +1
The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly develope…
Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations
Juarez L. F. Da Silva, Catherine Stampfl, Matthias Scheffler
The adsorption of rare gases on metal surfaces serve as the paradigm of weak adsorption where it is typically assumed that the adsorbate occupies maximally coordinated hollow sites…