An open database of computed bulk ternary transition metal dichalcogenides

We present a dataset of structural relaxations of bulk ternary transition metal dichalcogenides (TMDs) computed via plane-wave density functional theory (DFT). We examined combinations of up to two chalcogenides with seven transition metals from groups 4–6 in octahedral (1T) or trigonal prismatic (2...

Descripción completa

Detalles Bibliográficos
Autores principales: Muller, Scott E., Prange, Micah P., Lu, Zexi, Rosenthal, W. Steven, Bilbrey, Jenna A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10229635/
https://www.ncbi.nlm.nih.gov/pubmed/37253748
http://dx.doi.org/10.1038/s41597-023-02103-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10229635/
https://www.ncbi.nlm.nih.gov/pubmed/37253748
http://dx.doi.org/10.1038/s41597-023-02103-4

Ejemplares similares