Hamad, S; Woodley, SM; Catlow, CRA; (2009) Experimental and computational studies of ZnS nanostructures. MOL SIMULAT , 35 (12-13) 1015 - 1032. 10.1080/08927020903015346.
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We review the experimental and computational studies of nanoparticulate ZnS, a system that has received much attention recently. We describe in detail how the nanoparticle structures evolve with increasing size. The results of the computational studies reveal intriguing families of structures based on spheroids, which have the greater stability for clusters with less than 50 ZnS pairs. More complex structures are predicted for larger systems, such as double bubbles, BCT nanoparticles and nanotubes.
|Title:||Experimental and computational studies of ZnS nanostructures|
|Keywords:||ZnS, nanoparticles, clusters, nanotubes, global minimisation, ZINC-SULFIDE NANOPARTICLES, MOLECULAR-DYNAMICS SIMULATIONS, SEMICONDUCTOR QUANTUM DOTS, DENSITY-FUNCTIONAL THEORY, OPTICAL-PROPERTIES, 1ST-PRINCIPLES CALCULATIONS, STRUCTURE PREDICTION, METALLO-CARBOHEDRENES, ELECTRONIC-STRUCTURE, PHASE-TRANSITIONS|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry|
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