Diverse Phases of Carbonaceous Materials from Stochastic Simulations.
PES transformations
amorphous carbon
carbon nanotubes
glassy carbon
global optimization
graphitic phases
pore-size distribution
Journal
ACS nano
ISSN: 1936-086X
Titre abrégé: ACS Nano
Pays: United States
ID NLM: 101313589
Informations de publication
Date de publication:
27 Apr 2021
27 Apr 2021
Historique:
pubmed:
16
3
2021
medline:
16
3
2021
entrez:
15
3
2021
Statut:
ppublish
Résumé
Amorphous carbon systems are emerging to have unparalleled properties at multiple length scales, making them the preferred choice for creating advanced materials in many sectors, but the lack of long-range order makes it difficult to establish structure/property relationships. We propose an original computational approach to predict the morphology of carbonaceous materials for arbitrary densities that we apply here to graphitic phases at low densities from 1.15 to 0.16 g/cm
Identifiants
pubmed: 33721495
doi: 10.1021/acsnano.0c08029
pmc: PMC9639862
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
6369-6385Références
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