Adsorption, Gas-Sensing, and Optical Properties of Molecules on a Diazine Monolayer: A First-Principles Study

[Image: see text] Using first-principles calculations, the structural, electronic, and optical properties of CO(2), CO, N(2)O, CH(4), H(2), N(2), O(2), NH(3), acetone, and ethanol molecules adsorbed on a diazine monolayer were studied to develop the application potential of the diazine monolayer as...

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Detalles Bibliográficos
Autores principales: Wang, Xiaojiao, Yong, Yongliang, Yang, Wenwen, Zhang, Aodi, Xie, Xiangyi, Zhu, Peng, Kuang, Yanmin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153939/
https://www.ncbi.nlm.nih.gov/pubmed/34056297
http://dx.doi.org/10.1021/acsomega.1c00432

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153939/
https://www.ncbi.nlm.nih.gov/pubmed/34056297
http://dx.doi.org/10.1021/acsomega.1c00432

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