Owing to the earth-abundancy, eco-friendliness and high thermoelectric performance, CoSb 3 skutterudites have been employed in thermoelectric devices with a high energy …
Recent experimental and theoretical work has demonstrated significant potential to tune the properties of silicon and germanium by adjusting the mesostructure, nanostructure, and/or …
The alloying mechanism of high-capacity tin anodes for sodium-ion batteries is investigated using a combined theoretical and experimental approach. Ab initio random structure …
Zintl clathrates are the large family of inorganic compounds that combine aesthetically beautiful structures and interesting properties, including superconductivity and high …
Particles interacting via isotropic, multiwell pair potentials have been shown to self- assemble into a range of crystal structures, yet how the characteristics of the underlying …
Three different sodium-silicon clathrate compounds–Na8Si46 (sI), Na24Si136 (sII), and a new structure, NaSi6–were obtained for the first time using high-pressure techniques …
Although Si dominates the photovoltaics market, only two forms of Si have been thoroughly considered: amorphous Si and Si in the diamond structure (d-Si). Silicon can also form in …
Na‐free Si clathrates consisting only of Si cages are an allotrope of diamond‐structured Si. This material is promising for various device applications, such as next‐generation …
Inorganic type II clathrates are low density, semiconducting allotropes of group IV elements with the potential for optoelectronic applications. This class of materials is predicted to have …