Interest in the lattice Boltzmann method has been steadily increasing since it grew out of
lattice gas models in the late 1980s. While both of these methods simulate the flow of liquids …

Considering the natural abundance, the optoelectronic properties, and the electricity
production cost, iron pyrite (FeS2) has a strong appeal as a solar cell material. The …

To more accurately grasp the current status and trends in the density functional theory (DFT)
study of iron sulfur compounds, this paper presents a bibliometric analysis of 821 documents …

We demonstrate both analytically and numerically the existence of optical pulling forces
acting on particles located near plasmonic interfaces. Two main factors contribute to the …

Pyrite-phase iron sulfide (FeS2) nanocrystals were synthesized to form solvent-based
dispersions, or “solar paint,” to fabricate photovoltaic devices (PVs). Nanocrystals were …

Pyrite oxidation not only is environmentally significant in the formation of acid mine (or acid
rock) drainage and oxidative acidification of lacustrine sediment but also is a critical stage in …

Multiple lines of recent research indicate that iron pyrite (FeS2) requires a {100}-terminated
crystal morphology in order to maintain semiconducting properties. Additionally, the large …

Systematic density functional theory studies and model analyses have been used to show
that the band gap of iron pyrite (FeS2) can be increased from∼ 1.0 to 1.2–1.3 eV by …

Numerical modeling of Hall effect data is used to demonstrate the existence of a conductive
inversion layer at the surface of high-quality n-type single crystals of iron pyrite (cubic FeS2) …

We present a density-functional study of the adsorption and reactions of oxygen and water
with the (100) surface of pyrite. We find that dissociative adsorption is energetically favorable …