Volume 34, Issue 4 (Journal of Advanced Materials-winter 2016)                   jame 2016, 34(4): 107-113 | Back to browse issues page

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Dehestani M, Zeidabadinejad L, Pourestarabadi S. Density Functional Theory Calculation on Improving the Photocatalytic Properties of Zinc Oxide and Cadmium Sulfide by Hybridization with Metal-Organic Framework . jame. 2016; 34 (4) :107-113
URL: http://jame.iut.ac.ir/article-1-754-en.html
Department of Chemistry, Faculty of Science, Shahid Bahonar University, Kerman, Iran , S.Pourestarabadi@Gmail.com
Abstract:   (11435 Views)

In this study, energy and chemical interaction of ZnO and CdS surfaces interfaced with metal-organic framework (MOF), to improve their properties, have been investigated using density functional theory (DFT). Results show that reformation of structures by hybridation with MOF can increase their stability and improve their properties. Comparison of ZnO and CdS structures predict that deposition of MOF on ZnO substrate can be more effective.

Full-Text [PDF 672 kb]   (2007 Downloads)    
Type of Study: Research | Subject: General
Received: 2016/03/6 | Accepted: 2016/03/6 | Published: 2016/03/6

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