Cargando…
Adsorption of Industrial Gases (CH(4), CO(2), and CO) on Olympicene: A DFT and CCSD(T) Investigation
[Image: see text] Olympicene C(19)H(12), an organic semiconductor, is investigated as an adsorption material for toxic industrial gas molecules such as CH(4), CO(2), and CO. A deep insight of complexation of CH(4), CO(2), and CO with olympicene (analyte@OLY) was obtained by interaction energy, symme...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9178626/ https://www.ncbi.nlm.nih.gov/pubmed/35694488 http://dx.doi.org/10.1021/acsomega.2c01796 |