Effectiveness of ab initio molecular dynamics in simulating EXAFS spectra from layered systems
The simulation of EXAFS spectra of thin films via ab initio methods is discussed. The procedure for producing the spectra is presented as well as an application to a two-dimensional material (WSe2) where the effectiveness of this method in reproducing the spectrum and the linear dichroic response is...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
International Union of Crystallography
2024-09-01
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| Series: | Journal of Synchrotron Radiation |
| Assuntos: | |
| Acceso en liña: | https://journals.iucr.org/paper?S1600577524005484 |
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