Computational Investigation on the Electronic Structure and Functionalities of a Thiophene-Based Covalent Triazine Framework

Using the state-of-the-art theoretical method, we have investigated the electronic and optical properties of a thiophene-based covalent triazine framework (TBCTF). We have found that TBCTF is a direct band gap semiconductor. Our calculations reveal that constitutional isomerism is a tool for band ga...

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Detalles Bibliográficos
Autores principales: Ball, Biswajit, Chakravarty, Chandrima, Mandal, Bikash, Sarkar, Pranab
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648783/
https://www.ncbi.nlm.nih.gov/pubmed/31459570
http://dx.doi.org/10.1021/acsomega.8b03488

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648783/
https://www.ncbi.nlm.nih.gov/pubmed/31459570
http://dx.doi.org/10.1021/acsomega.8b03488

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