First-Principles Study on Redox Magnetism and Electrochromism of Cyclometalated Triarylamine-Core Triruthenium Complex

First-Principles Study on Redox Magnetism and Electrochromism of Cyclometalated Triarylamine-Core Triruthenium Complex

Spin electronic states and optical properties of a circular ruthenium (Ru) terpyridine complex with a triarylamine core (CTTC) are theoretically investigated by first-principles calculations within an all-electron numerical orbital scheme based on spin density functional theory (SDFT), which demonst...

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Bibliographic Details
Main Authors: Lin Li, Yue Wang, Meng-Yang Chen, Jian Zhang, Jian-Quan Liang, He-Qian Liu, Yu-Xuan Sun, Wei Song, Wei-Feng Sun
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Crystals
Subjects:
multistate redox
electrochromism
first-principles calculation
electronic state
optical absorption spectrum
Online Access:https://www.mdpi.com/2073-4352/11/1/57

Internet

https://www.mdpi.com/2073-4352/11/1/57

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