An increased synergy between experimental and theoretical investigations in
heterogeneous catalysis has become apparent during the last decade. Experimental work …

An n-type silicon wafer appears to be an excellent base material for high efficiency silicon
heterojunction solar cells with high annual energy output. The further development of viable …

Hydrogen incorporation in the fabrication of amorphous Si (a-Si) plays an important role in
improving its electronic and optical properties. An important question is how H interacts with …

Diffraction data play an important role in the structural characterizations of solids. While
reverse Monte Carlo (RMC) and similar methods provide an elegant approach to (re) …

This paper presents a large-scale ab initio simulation study of amorphous silicon hydride (a-
Si 1-x H x) with an emphasis on the structure and properties of the material across a range of …

We present a computational study of small-angle x-ray scattering (SAXS) in amorphous
silicon (a-Si) with particular emphasis on the morphology and microstructure of voids. The …

A nanoindenter was used to compress individual particles of hydrogenated amorphous
silicon (a-Si: H) ranging in diameter from 290 nm to 780 nm. The colloidal synthesis used to …

Response of hydrogenated amorphous silicon (a-Si: H) to external electric field was
investigated with quantum simulations using a time-dependent density functional tight …

Use of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si: H) in
photovoltaics has been limited by light-induced degradation (the Staebler-Wronski effect) …

The paper presents an ab initio study of temperature-induced nanostructural evolution of
hydrogen-rich voids in amorphous silicon. By using large a-Si models, obtained from …