Magneto-electronic properties of graphene nanoribbons with various edge structures passivated by phosphorus and hydrogen atoms

2015 ◽  
Vol 17 (37) ◽  
pp. 24020-24028 ◽  
Author(s):  
Z. L. Yu ◽  
D. Wang ◽  
Z. Zhu ◽  
Z. H. Zhang
Keyword(s):  
Electronic Properties ◽  
Graphene Nanoribbons ◽  
Zigzag Edge ◽  
Hydrogen Atoms

Magneto-electronic properties of graphene nanoribbons with various edge structures passivated by P and H is studied. It shows that if the edge of GNRs is a mixture of zigzag edge and reconstructed Klein edge, they are nonmagnetic for H passivation but obviously magnetic for P passivation.

Electronic properties and nonlinear optical responses of boron/nitrogen-doped zigzag graphene nanoribbons

2016 ◽  
Vol 94 (7) ◽  
pp. 620-625 ◽  
Author(s):  
Yang-Yang Hu ◽  
Wei-Qi Li ◽  
Li Yang ◽  
Ji-Kang Feng ◽  
Wei Quan Tian
Keyword(s):  
Electronic Properties ◽  
Nonlinear Optical ◽  
Graphene Nanoribbons ◽  
Second Order ◽  
Zigzag Edge ◽  
Nitrogen Doped ◽  
Optical Responses ◽  
Nlo Response ◽  
Boron Nitrogen

The electronic properties and second-order nonlinear optical (NLO) responses of B/N-doped zigzag graphene nanoribbon (ZGNR) have been investigated using quantum chemistry methods. The electron-deficient B atoms prefer to form π-conjugation with the C atoms nearby along the B-doped zigzag edge. On the other hand, the electron-rich N atoms with radical characteristics weaken the conjugated bonding effects in the N-doped ZGNR. The NLO response of the ZGNR is enhanced by doping only one zigzag edge with B or N atoms. The conjugated B-doped zigzag edge takes the role of electron donor, while the N-doped zigzag edge serves as electron acceptor, giving rise to the discordant impact on the second-order NLO response of the BN-doped ZGNR.

Graphene Nanoribbons: Towards Graphitic Materials with Predefined Dimensions and Electronic Properties

2015 ◽  
Vol 19 (18) ◽  
pp. 1850-1871 ◽  
Author(s):  
Eleftherios K. Pefkianakis ◽  
Georgios Sakellariou ◽  
Georgios C. Vougioukalakis
Keyword(s):  
Electronic Properties ◽  
Graphene Nanoribbons

scholarly journals Morphological characterization and electronic properties of pristine and oxygen-exposed graphene nanoribbons on Ag(110)

2021 ◽  
Author(s):  
Jose Eduardo Barcelon ◽  
Marco Smerieri ◽  
Giovanni Carraro ◽  
Pawel Wojciechowski ◽  
Luca Vattuone ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Quantum Confinement ◽  
Energy Gap ◽  
Graphene Nanoribbons ◽  
Morphological Characterization

Graphene nanoribbons (GNRs) are at the frontier of research on graphene materials since the 1D quantum confinement of electrons allows for the opening of an energy gap.

Hydrogenated Amorphous Silicon Nitride: Structural and Electronic Properties

1998 ◽  
Vol 538 ◽  
Author(s):  
J. F. Justo ◽  
F. De Brito Mota ◽  
A. Fazziom
Keyword(s):  
Silicon Nitride ◽  
Ab Initio ◽  
Amorphous Silicon ◽  
Electronic Properties ◽  
Interatomic Potential ◽  
Hydrogen Atoms ◽  
Hydrogen Incorporation ◽  
Amorphous Silicon Nitride ◽  
Structural And Electronic Properties ◽  
Hydrogenated Amorphous

AbstractWe combined empirical and ab initio methods to study structural and electronic properties of amorphous silicon nitride. For such study, we developed an interatomic potential to describe the interactions between silicon, nitrogen, and hydrogen atoms. Using this potential, we performed Monte Carlo simulations in a simulated annealing scheme to study structural properties of amorphous silicon nitride. Then this potential was used to generate relevant structures of a-SiNx:Hy which were input configurations to ab initio calculations. We investigated the electronic and structural role played by hydrogen incorporation in amorphous silicon nitride.

Electronic properties and reactivity of oxidized graphene nanoribbons and their interaction with phenol

2021 ◽  
Vol 28 (1) ◽  
Author(s):  
Santiago José Guevara-Martínez ◽  
Francisco Villanueva-Mejia ◽  
Luis Olmos ◽  
Pedro Navarro-Santos ◽  
Manuel Arroyo-Albiter
Keyword(s):  
Electronic Properties ◽  
Graphene Nanoribbons

Edge-Reconstructed, Few-Layered Graphene Nanoribbons: Stability and Electronic Properties

2017 ◽  
Vol 121 (10) ◽  
pp. 5836-5840 ◽  
Author(s):  
Juliana A. Gonçalves ◽  
Regiane Nascimento ◽  
Matheus J. S. Matos ◽  
Alan B. de Oliveira ◽  
Hélio Chacham ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Graphene Nanoribbons

Tuning spin polarization and spin transport of zigzag graphene nanoribbons by line defects

2015 ◽  
Vol 17 (1) ◽  
pp. 638-643 ◽  
Author(s):  
G. P. Tang ◽  
Z. H. Zhang ◽  
X. Q. Deng ◽  
Z. Q. Fan ◽  
H. L. Zhu
Keyword(s):  
Electronic Properties ◽  
Spin Polarization ◽  
Spin Transport ◽  
Graphene Nanoribbons ◽  
Line Defect ◽  
Line Defects ◽  
Zigzag Graphene Nanoribbons

The spin-dependent electronic properties of zigzag-edged graphene nanoribbons with a line defect are investigated systematically and compared to those of the pristine ZGNR.

Sign in / Sign up

Export Citation Format

Share Document