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| dc.contributor.author | Junkermeier, Chad E. | |
| dc.contributor.author | Larmand, Evan | |
| dc.contributor.author | Morais, Jean-Charles | |
| dc.contributor.author | Kobebel, Jedediah | |
| dc.contributor.author | Lavarez, Kat | |
| dc.contributor.author | Adra, R. Martin | |
| dc.contributor.author | Yang, Jirui | |
| dc.contributor.author | Diaz, Valeria Aparicio | |
| dc.contributor.author | Paupitz, Ricardo [UNESP] | |
| dc.contributor.author | Psofogiannakis, George | |
| dc.contributor.institution | University of Hawai‘i at Mānoa | |
| dc.contributor.institution | University of Hawai‘i Maui College | |
| dc.contributor.institution | University of Ottawa | |
| dc.contributor.institution | Universidade Estadual Paulista (UNESP) | |
| dc.date.accessioned | 2025-04-29T18:05:10Z | |
| dc.date.issued | 2024-04-25 | |
| dc.description.abstract | The authors have identified errors in Figures 6 and 9 of that publication. The wrong CO2 total energy was used when calculating adsorption energies in Equation 2 of that publication, resulting in the DFTB+-based CO2 adsorption energies being too large by 0.1347 eV. The corrected graphs are given as Figures 1 and 2 of this corrigendum.[Formula presented] .[Formula presented] The authors would like to apologise for any inconvenience caused. | en |
| dc.description.affiliation | Department of Physics and Astronomy University of Hawai‘i at Mānoa | |
| dc.description.affiliation | Science Technology Engineering and Mathematics Department University of Hawai‘i Maui College | |
| dc.description.affiliation | Department of Chemical and Biological Engineering University of Ottawa | |
| dc.description.affiliation | Departamento de Física IGCE Universidade Estadual Paulista UNESP, SP | |
| dc.description.affiliationUnesp | Departamento de Física IGCE Universidade Estadual Paulista UNESP, SP | |
| dc.identifier | http://dx.doi.org/10.1016/j.commatsci.2024.112921 | |
| dc.identifier.citation | Computational Materials Science, v. 239. | |
| dc.identifier.doi | 10.1016/j.commatsci.2024.112921 | |
| dc.identifier.issn | 0927-0256 | |
| dc.identifier.scopus | 2-s2.0-85188914204 | |
| dc.identifier.uri | https://hdl.handle.net/11449/296964 | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Computational Materials Science | |
| dc.source | Scopus | |
| dc.title.alternative | Corrigendum to “Functionalized carbophenes as high-capacity versatile gas adsorbents: An ab initio study” [Comput. Mater. Sci. 232 (2023) 112665] (S0927025623006596), (10.1016/j.commatsci.2023.112665) | en |
| dc.type | Errata | pt |
| dspace.entity.type | Publication | |
| unesp.campus | Universidade Estadual Paulista (UNESP), Instituto de Geociências e Ciências Exatas, Rio Claro | pt |