定制PEO/CuO/In2O3的结构、电子和光学性能柔性电子和光学新结构的方法

Q4 Materials Science Nanosistemi, Nanomateriali, Nanotehnologii Pub Date : 2022-12-01 DOI:10.15407/nnn.20.04.941

Huda Bukheet, H. Abduljalil, Ahmed Hashim

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引用次数: 0

摘要

新型聚环氧乙烷PEO–氧化铜CuO–氧化铟In 2 O 3结构设计用于各种光学和电子方法。利用B3LYP水平的DFT和基组SDD研究了PEO–CuO–In2 O3结构的结构、光学和电子性质以及优化的几何结构。所讨论的电子特性包括总能量、共粘合能、HOMO、LUMO、电离势、能隙、柔软度、电子亲和力、硬度、电负性

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Tailoring the Structure, Electronic and Optical Properties of PEO/CuO/In2O3 New Structures for Flexible Electronics and Optics Approaches

The new polyethylene oxide PEO–copper oxide CuO–indium oxide In 2 O 3 structures are designed to use in various optics and electronics approaches. The structure, optical and electronic properties as well as optimized geometry for PEO–CuO–In 2 O 3 structures are studied by using DFT at the B3LYP level with basis set SDD. The electronic characteristics at issue contain total energy, co-hesive energy, HOMO, LUMO, ionization potential, energy gap, softness, electronic affinity, hardness, electronegativity

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来源期刊

Nanosistemi, Nanomateriali, Nanotehnologii Materials Science-Materials Science (miscellaneous)

CiteScore

0.90

自引率

0.00%

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期刊介绍： Collected Scientific Transactions "Nanosistemi, Nanomateriali, Nanotehnologii" was founded in 2003, and it is one of the leading periodical scientific transactions of Ukraine. Editor-in-chief of the Collected Scientific Transactions ‘Nanosistemi, Nanomateriali, Nanotehnologii’ is Corresponding Member of the N.A.S. of Ukraine, Dr. Sci. (Phys.-Math.), Prof. Valentyn A. TATARENKO.