3 papers
mtrl-th1995
The Influence of Gradient Corrections on Bulk and Surface Properties of TiO2 and SnO2
J. Goniakowski, J. M. Holender, L. N. Kantorovich +2
First-principles calculations based on density functional theory and the pseudo\-potential method have been used to investigate the influence of gradient corrections to the standar…
mtrl-th1995
The Adsorption of H2O on TiO2 and SnO2(110) Studied by First-Principles Calculations
J. Goniakowski, M. J. Gillan
First-principles calculations based on density functional theory and the pseudopotential method have been used to investigate the energetics of HO adsorption on the (110) surfa…
mtrl-th1995
The Structure of the Stoichiometric and Reduced SnO2 (110) Surface
I. Manassidis, J. Goniakowski, L. N. Kantorovich +1
First-principles calculations based on density functional theory (DFT) and the pseudopotential method have been used to study the stoichiometric and reduced SnO2 (110) surface. The…