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Bonding-restricted structure search for novel 2D materials with dispersed C(2) dimers
Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4941692/ https://www.ncbi.nlm.nih.gov/pubmed/27403589 http://dx.doi.org/10.1038/srep29531 |