Influence of metal oxides on circumcorannulene for the design of new push-pull corannulene models: applications in nano-electronics, optoelectronics and non-linear optics

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-02-15 DOI:10.1080/08927022.2024.2316072

Barnabas Aloumko, Crevain Souop Tala Foadin, Sali Mohammadou, Fridolin Tchangnwa Nya, Geh Wilson Ejuh

引用次数: 0

Abstract

The search for new high-performance push-pull materials for use in nonlinear optics (NLO) and optics is currently a popular area of research. In this study, the effects of metal oxides -(MO)n = 1,2...

查看原文本刊更多论文

金属氧化物对设计新型推拉茱萸模型的环茱萸的影响：在纳米电子学、光电子学和非线性光学中的应用

寻找用于非线性光学（NLO）和光学的新型高性能推拉材料是当前的热门研究领域。在这项研究中，金属氧化物 -(MO)n = 1,2...

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.