The Adsorption Mechanisms of SF<sub>6</sub>-Decomposed Species on Tc- and Ru-Embedded Phthalocyanine Surfaces: A Density Functional Theory Study

The Adsorption Mechanisms of SF<sub>6</sub>-Decomposed Species on Tc- and Ru-Embedded Phthalocyanine Surfaces: A Density Functional Theory Study

Designing high-performance materials for the detection or removal of toxic decomposition gases of sulfur hexafluoride is crucial for both environmental monitoring and human health preservation. Based on first-principles calculations, the adsorption performance and gas-sensing properties of unsubstit...

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Bibliographic Details
Main Authors: Rou Xue, Wen Jiang, Xing He, Huihui Xiong, Gang Xie, Zhifeng Nie
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Molecules
Subjects:
adsorption mechanism
metal phthalocyanine monolayer
SF<sub>6</sub>-decomposed species
density functional theory
Online Access:https://www.mdpi.com/1420-3049/28/20/7137

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https://www.mdpi.com/1420-3049/28/20/7137

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