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Data for quantum phonon transport in strained carbon atomic chains bridging graphene and graphene nanoribbon electrodes

The data presented in this article are related to “Odd-even phonon transport effects in strained carbon atomic chains bridging graphene nanoribbon electrodes” (Kim et al., 2019). To provide the information that can be utilized in reproducing our results, we provide the fully optimized graphene nanor...

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Detalles Bibliográficos
Autores principales: Kim, Hu Sung, Kim, Tae Hyung, Kim, Yong-Hoon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6282110/
https://www.ncbi.nlm.nih.gov/pubmed/30547069
http://dx.doi.org/10.1016/j.dib.2018.11.049
Descripción
Sumario:The data presented in this article are related to “Odd-even phonon transport effects in strained carbon atomic chains bridging graphene nanoribbon electrodes” (Kim et al., 2019). To provide the information that can be utilized in reproducing our results, we provide the fully optimized graphene nanoribbon (GNR)–carbon chain (CC)–GNR junction atomic configurations at different strain values, the computational setting for quantum phonon transport calculations, and several computational data that were not included in the main manuscript. Data on graphene–CC–graphene junctions are additionally presented.