DENSITY FUNCTIONAL THEORY CALCULATION ON IMPROVING THE PHOTOCATALYTIC PROPERTIES OF ZINC OXIDE AND CADMIUM SULFIDE BY HYBRIDIZATION WITH METAL-ORGANIC FRAMEWORK

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DEHESTANI M.; Zeidabadinejad L.; POURESTARABADI S.

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Journal: ADVANCED MATERIALS IN ENGINEERING (ESTEGHLAL) Year:2016 | Volume:34 | Issue:4 Page(s): 107-113

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Title

DENSITY FUNCTIONAL THEORY CALCULATION ON IMPROVING THE PHOTOCATALYTIC PROPERTIES OF ZINC OXIDE AND CADMIUM SULFIDE BY HYBRIDIZATION WITH METAL-ORGANIC FRAMEWORK

Author(s)

DEHESTANI M. | Zeidabadinejad L. | POURESTARABADI S. | Issue Writer Certificate

Keywords

ZNOQ2

CDSQ3

METAL-ORGANIC FRAMEWORK (MOF)Q2

HYBRID STRUCTUREQ2

DFTQ2

Abstract

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.

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APA: Copy

DEHESTANI, M., Zeidabadinejad, L., & POURESTARABADI, S.. (2016). DENSITY FUNCTIONAL THEORY CALCULATION ON IMPROVING THE PHOTOCATALYTIC PROPERTIES OF ZINC OXIDE AND CADMIUM SULFIDE BY HYBRIDIZATION WITH METAL-ORGANIC FRAMEWORK. ADVANCED MATERIALS IN ENGINEERING (ESTEGHLAL), 34(4), 107-113. SID. https://sid.ir/paper/163276/en

Vancouver: Copy

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. ADVANCED MATERIALS IN ENGINEERING (ESTEGHLAL)[Internet]. 2016;34(4):107-113. Available from: https://sid.ir/paper/163276/en

IEEE: Copy

M. DEHESTANI, L. Zeidabadinejad, and S. POURESTARABADI, “DENSITY FUNCTIONAL THEORY CALCULATION ON IMPROVING THE PHOTOCATALYTIC PROPERTIES OF ZINC OXIDE AND CADMIUM SULFIDE BY HYBRIDIZATION WITH METAL-ORGANIC FRAMEWORK,” ADVANCED MATERIALS IN ENGINEERING (ESTEGHLAL), vol. 34, no. 4, pp. 107–113, 2016, [Online]. Available: https://sid.ir/paper/163276/en

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