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Atomic Scale Design of Spinel ZnAl2O4 Nanocrystal Synthesis 尖晶石ZnAl&lt；sub>2O4</sub&gt；纳米晶体合成的原子尺度设计

Figshare Pub Date : 2020-01-15 DOI: 10.1021/acs.cgd.9b01519.s001

Sanna Sommer (4803486), Espen D. Bøjesen (1556839), Hazel Reardon (4259269), Bo B. Iversen (1410967)

{"title":"Atomic Scale Design of Spinel ZnAl2O4 Nanocrystal Synthesis","authors":"Sanna Sommer (4803486), Espen D. Bøjesen (1556839), Hazel Reardon (4259269), Bo B. Iversen (1410967)","doi":"10.1021/acs.cgd.9b01519.s001","DOIUrl":"https://doi.org/10.1021/acs.cgd.9b01519.s001","url":null,"abstract":"The chemistry ofnZnAl2O4 nanocrystal nucleationnand growth is examined by X-ray scattering methods, and the resultsnchallenge the conventional understanding of its preparation by hydrothermalnmethods. The common assumption that a specific metal to hydroxidenion (M/OH) ratio is necessary to achieve a phase-pure product is shownnto be inadequate. Pair distribution function analysis is used to identifyndistinct precursor structures, providing an understanding of why particularnimpurity phases are observed under certain M/OH ratios as heatingnis applied. In situ X-ray diffraction studies thennprobe the ZnAl2O4 growth in real time, fromnwhich optimal synthesis conditions and the influence of impuritiesnis established. It is found that the heating rate plays a dominantnrole in impurity formation and dissolution. This observation is explorednin three different hydrothermal synthesis methods (microwave, autoclave,nand supercritical flow) having different intrinsic heating rates,nand methodologies to prepare phase-pure ZnAl2O4 were successfully developed in each case. Ultimately, the atomicnscale X-ray scattering information provides concrete guidance to tunenthe crystallite size, band gap, morphology, and defects of ZnAl2O4 nanocrystals in hydrothermal synthesis establishingna bottom up nonempirical approach to synthesis design.","PeriodicalId":523750,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147921373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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