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First-principles calculations of hybrid inorganic–organic interfaces: from state-of-the-art to best practice
The computational characterization of inorganic–organic hybrid interfaces is arguably one of the technically most challenging applications of density functional theory. Due to the fundamentally different electronic properties of the inorganic and the organic components of a hybrid interface, the pro...
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| Publicado no: | Phys Chem Chem Phys |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society of Chemistry
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8237233/ https://ncbi.nlm.nih.gov/pubmed/33875987 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0cp06605b |
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