Growth mechanism of octahedron-like BaMoO4 microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling

(整期优先)网络出版时间:2009-05-15
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Octahedron-likeBaMoO4microcrystalsweresynthesizedbytheco-precipitationmethodatroomtemperatureandprocessedinmicrowave-hydrothermalat413Kfordifferenttimes(from30minto5h).ThesemicrocrystalswereanalyzedbyX-raydiffraction(XRD),field-emissiongunscanningelectronmicroscopy(FEG-SEM)andtransmissionelectronmicroscopy(TEM).XRDpatternsshowedthatthismaterialpresentsatetragonalstructurewithoutthepresenceofdeleteriousphases.FEG-SEMandTEMmicrographsrevealedthattheBaMoO4microcrystalspresentanoctahedron-likemorphologywithagglomeratenatureandpoly-disperseparticlesizedistribution.Thesemicrographsalsoindicatedthatthemicrocrystalsgrowalongthe[001]direction.Theobservedcrystallographicplanesinthesestructuresweremodeledcomputationallyandacrystalgrowthmodelwasproposedinordertoexplainthemorphologicalchangesasafunctionofprocessingtime.