The tremendous interest in nanoscale structures such as quantum dots (zero-dimension)
and wires (quasi-one-dimension) stems from their size-dependent properties. One …

We model the photoelectric emission from and charging of interstellar dust and obtain
photoelectric gas heating efficiencies as a function of grain size and the relevant ambient …

We review the growing role of computational techniques in modelling the structures and
properties of nano-particulate oxides and sulphides. We describe the main methods …

Using a previously derived model of the dry, amorphous, hydrophilic SiO 2 surface, the
reactivity of generic defect sites on the surface with respect to water, and the local network …

A new interatomic potential, tuned to calculate the energies and structures of nanoscale
silica, is presented. The potential parameters for Si–O, O–O, and Si–Si interactions were …

The structures, energies, and fragmentation stabilities of silicon oxide clusters Si m O n, with
m= 1− 5, n= 1, 2 m+ 1, are studied systematically by ab initio calculations. New structures for …

We have studied the structure of nanometer-sized silica particles called fumed silica, which
is a synthetic amorphous silicon dioxide produced by burning silicon tetrachloride in an …

A systematic study on the geometric and electronic structures of ground-state silicon oxide
clusters (Si n Om, where n, m= 1− 8) has been performed using molecular orbital and …

Employing a polyatomic version of the basin hop** global optimization algorithm, together
with interatomic potentials specifically tailored to accurately describe the structures and …

Small silicon oxide compounds are considered crucial in the formation and evolution of
stardust, particularly particles with silica and silicate cores. Thus, detailed information on the …