TY - JOUR
T1 - Naphthylenes
T2 - 1D and 2D carbon allotropes based on naphthyl units
AU - Álvares Paz, Maria Lúcia
AU - Saraiva-Souza, Aldilene
AU - Meunier, Vincent
AU - Girão, Eduardo Costa
N1 - Publisher Copyright:
© 2019 Elsevier Ltd
PY - 2019/11
Y1 - 2019/11
N2 - We propose two kinds of 2D carbon allotropes with a naphthyl-like group used as structural unit. We name them naphthylenes of the α, and β kinds, and study their atomic and electronic structure using density functional theory. We also investigate a set of nanoribbons cut out of naphthylenes. We show that these systems are usually metallic, with frontier states spread inside the structure, rather than at their edges. This results in a type of nanomaterials featuring controlled properties that can be tuned for targeted applications in nanoelectronics.
AB - We propose two kinds of 2D carbon allotropes with a naphthyl-like group used as structural unit. We name them naphthylenes of the α, and β kinds, and study their atomic and electronic structure using density functional theory. We also investigate a set of nanoribbons cut out of naphthylenes. We show that these systems are usually metallic, with frontier states spread inside the structure, rather than at their edges. This results in a type of nanomaterials featuring controlled properties that can be tuned for targeted applications in nanoelectronics.
UR - https://www.scopus.com/pages/publications/85073647126
UR - https://www.scopus.com/pages/publications/85073647126#tab=citedBy
U2 - 10.1016/j.carbon.2019.07.037
DO - 10.1016/j.carbon.2019.07.037
M3 - Article
AN - SCOPUS:85073647126
SN - 0008-6223
VL - 153
SP - 792
EP - 803
JO - Carbon
JF - Carbon
ER -