STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC OXIDE NANOSTRUCTURES VIA DENSITY FUNCTIONAL THEORY

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SOHRABI SANI SHAHDOKHT

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Seminar Paper

Paper Information

Seminar: INTERNATIONAL CONFERENCE ON SCIENCE AND ENGINEERING
Year:2015 | Issue:1

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Title

STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC OXIDE NANOSTRUCTURES VIA DENSITY FUNCTIONAL THEORY

Author(s)

SOHRABI SANI SHAHDOKHT

Keywords

ZNO NANOSTRUCTURES

ELECTRONIC STRUCTURE

DFT

Abstract

BY USING AB INITIO DENSITY FUNCTIONAL THEORY WE STUDIED THE STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC OXIDE, MONOLAYER, DOUBLE LAYER GRAPHENLIKE AND NANORIBBONS WITH ARMCHAIR AND ZIGZAG EDGES. IN CASE THE DOUBLE LAYER, THE EFFECTS OF INTER-LAYER COUPLING ON THE ELECTRONIC STRUCTURES, WERE OBSERVED. THESE RESULTS SHOWED THAT THE ENERGY GAP IN THE MONOLAYER WAS CLOSED BY INTER-LAYER COUPLING. IT WAS FOUND THAT THE ZNO DOUBLE LAYER HAS A METALLIC BEHAVIOR. OUR RESULTS SHOWED ZIGZAG ZNO NANORIBBONS HAVE METALIC PROPERTY, BUT ZNO ARMCHAIR NANORIBBONS SHOWED SEMICONDUCTOR BEHAVIOR.

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APA: Copy

SOHRABI SANI, SHAHDOKHT. (2015). STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC OXIDE NANOSTRUCTURES VIA DENSITY FUNCTIONAL THEORY. INTERNATIONAL CONFERENCE ON SCIENCE AND ENGINEERING. SID. https://sid.ir/paper/909094/en

Vancouver: Copy

SOHRABI SANI SHAHDOKHT. STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC OXIDE NANOSTRUCTURES VIA DENSITY FUNCTIONAL THEORY. 2015. Available from: https://sid.ir/paper/909094/en

IEEE: Copy

SHAHDOKHT SOHRABI SANI, “STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC OXIDE NANOSTRUCTURES VIA DENSITY FUNCTIONAL THEORY,” presented at the INTERNATIONAL CONFERENCE ON SCIENCE AND ENGINEERING. 2015, [Online]. Available: https://sid.ir/paper/909094/en

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