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Equilibrium phase diagrams of isostructural and heterostructural two-dimensional alloys from first principles
Alloying is a successful strategy for tuning the phases and properties of two-dimensional (2D) transition metal dichalcogenides (TMDCs). To accelerate the synthesis of TMDC alloys, we present a method for generating temperature-composition equilibrium phase diagrams by combining first-principles tot...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9010766/ https://www.ncbi.nlm.nih.gov/pubmed/35434554 http://dx.doi.org/10.1016/j.isci.2022.104161 |