Atomistic structures of 〈0001〉 tilt grain boundaries in a textured Mg thin film.

Nanocrystalline Mg was sputter deposited onto an Ar ion etched Si {100} substrate. Despite an ∼6 nm amorphous layer found at the interface, the Mg thin film exhibits a sharp basal-plane texture enabled by surface energy minimization. The columnar grains have abundant 〈0001〉 tilt grain boundaries in between, most of which are symmetric with various misorientation angles. Up to ∼20° tilt angle, they are composed of arrays of equally-spaced edge dislocations. Ga atoms were introduced from focused ion beam milling and found to segregate at grain boundaries and preferentially decorate the dislocation cores. Most symmetric grain boundaries are type-1, whose boundary planes have smaller dihedral angles with {21̄1̄0} rather than {101̄0}. Atomistic simulations further demonstrate that type-2 grain boundaries, having boundary planes at smaller dihedral angles with {101̄0}, are composed of denser dislocation arrays and hence have higher formation energy than their type-1 counterparts. The finding correlates well with the dominance of type-1 grain boundaries observed in the Mg thin film.

Facile and Robust Solvothermal Synthesis of Nanocrystalline CuInS2 Thin Films.

This work demonstrates that the solvothermal synthesis of nanocrystalline CuInS2 thin films using the amino acid l-cysteine as sulfur source is facile and robust against variation of reaction time and temperature. Synthesis was carried out in a reaction time range of 3⁻48 h (at 150 °C) and a reaction temperature range of 100⁻190 °C (for 18 h). It was found that at least a time of 6 h and a temperature of 140 °C is needed to produce pure nanocrystalline CuInS2 thin films as proven by X-ray and electron diffraction, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy. Using UV-vis spectroscopy, a good absorption behavior as well as direct band gaps between 1.46 and 1.55 eV have been determined for all grown films. Only for a reaction time of 3 h and temperatures below 140 °C CuInS2 is not formed. This is attributed to the formation of metal ion complexes with l-cysteine and the overall slow assembly of CuInS2. This study reveals that the reaction parameters can be chosen relatively free; the reaction is completely nontoxic and precursors and solvents are rather cheap, which makes this synthesis route interesting for industrial up scaling.