NANOCRYSTAL STABILITY IN THE Π-PHASE IV-VI MONOCHALCOGENIDES
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1Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva, Israel
2Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, Israel
2Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, Israel
A new cubic binary phase was recently discovered in the nanocrystalline IV-VI monochalcogenides tin monosulfide and tin monoselenide. Here, we explored the materials nanocrystal stability and present experimental results which help to elucidate the growth mechanism. The structure and properties of surfaces of the π phase, were studied using density functional theory across the monochalcogenide systems. The thin film band gaps and the (100) and (111) surface energies, including adsorbed ligands, of the new phase were calculated and demonstrate properties which may be attractive for a variety of photovoltaic and photosensing applications.
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