Barium disilicide: Development of a novel, low cost and earth abundant absorber material for thin film solar cell applications

In the ongoing search for (new) highly efficient and cheap photovoltaic materials, orthorhombic barium disilicide has sparked recent interest. Studies have shown that BaSi2 exhibits good electrical properties, a bandgap of 1.3 eV and a high absorption coefficient. However, these studies have mainly been performed on molecular beam epitaxially...

Revisiting the Al/Al?O? interface: Coherent interfaces and misfit accommodation

We study the coherent and semi-coherent Al/?-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation...