Inhomogeneous electronic properties of monolayer graphene on Ru(0001)

2011 ◽  
Vol 83 (15) ◽  
Author(s):  
M. Gyamfi ◽  
T. Eelbo ◽  
M. Waśniowska ◽  
R. Wiesendanger
Keyword(s):  
Electronic Properties ◽  
Monolayer Graphene

scholarly journals Substrate-induced structures of bismuth adsorption on graphene: a first principles study

2016 ◽  
Vol 18 (28) ◽  
pp. 18978-18984 ◽  
Author(s):  
Shih-Yang Lin ◽  
Shen-Lin Chang ◽  
Hsin-Hsien Chen ◽  
Shu-Hsuan Su ◽  
Jung-Chun Huang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Monolayer Graphene ◽  
First Principles Calculations ◽  
Adsorbed Monolayer ◽  
First Principles Study ◽  
Geometric And Electronic Properties

The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of a substrate, are investigated by first-principles calculations.

Properties of single-layer graphene with supercell doped by one defect only

2017 ◽  
Vol 31 (27) ◽  
pp. 1750196
Author(s):  
Zongguo Wang ◽  
Shaojing Qin ◽  
Chuilin Wang
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Magnetic State ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Monolayer Graphene ◽  
Hybrid Functional ◽  
Functional Theory ◽  
Spin Polarized ◽  
Different Types

Graphene has vast promising applications in nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the method of the Heyd–Scuseria–Ernzerhof 06 (HSE06) hybrid functional, the properties of various defect dopants in a supercell of a semi-metal monolayer graphene were investigated. We found from our calculation that introducing one defect dopant in a supercell would break the spin sublattice symmetry, and will induce a magnetic state at some appropriate doping concentrations. This paper systematically analyzes the magnetic effects of three types of defects on graphene, that is, vacancy, substitutional dopant and adatoms. Different types of defects will induce various new properties in graphene. The energies and electronic properties of these three types of defects were also calculated.

Tuning the electronic properties of monolayer graphene by the periodic aligned graphene nanoribbons

2011 ◽  
Vol 161 (5-6) ◽  
pp. 489-495 ◽  
Author(s):  
C.H. Lee ◽  
S.C. Chen ◽  
W.S. Su ◽  
R.B. Chen ◽  
M.F. Lin
Keyword(s):  
Electronic Properties ◽  
Graphene Nanoribbons ◽  
Monolayer Graphene

Modulating the Electronic Properties of Monolayer Graphene Using a Periodic Quasi-One-Dimensional Potential Generated by Hex-Reconstructed Au(001)

ACS Nano ◽  
2016 ◽  
Vol 10 (8) ◽  
pp. 7550-7557 ◽  
Author(s):  
Xiebo Zhou ◽  
Yue Qi ◽  
Jianping Shi ◽  
Jingjing Niu ◽  
Mengxi Liu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Monolayer Graphene ◽  
One Dimensional

Periodically Modulated Electronic Properties of the Epitaxial Monolayer Graphene on Ru(0001)

2011 ◽  
Vol 115 (50) ◽  
pp. 24858-24864 ◽  
Author(s):  
Wei Feng ◽  
Shulai Lei ◽  
Qunxiang Li ◽  
Aidi Zhao
Keyword(s):  
Electronic Properties ◽  
Monolayer Graphene

scholarly journals Atomic Insights into Fracture Characteristics of Twisted Tri-Layer Graphene

Crystals ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 1202
Author(s):  
Hassan Shoaib ◽  
Qing Peng ◽  
Abduljabar Q. Alsayoud
Keyword(s):  
Mechanical Properties ◽  
Crack Length ◽  
Electronic Properties ◽  
Fracture Strain ◽  
Twist Angle ◽  
Critical Stress Intensity Factor ◽  
Dynamics Simulation ◽  
Monolayer Graphene ◽  
Pristine Graphene ◽  
Trilayer Graphene

Graphene twistronics have recently gained significant attention due their superconductive behavior as a consequence of their tunable electronic properties. Although the electronic properties of twisted graphene have been extensively studied, the mechanical properties and integrity of twisted trilayer graphene (tTLG) under loading is still elusive. We investigated the fracture mechanics of tTLG with a twist angle of ±1.53° utilizing molecular dynamics simulation. This twist angle was chosen because it is known to exhibit highly superconductive behavior. The results indicate that tTLG does not preserve the excellent mechanical properties typically associated with graphene, with toughness and fracture strain values much lower in comparison. The Young’s modulus was an exception with values relatively close to pristine graphene, whereas the tensile strength was found to be roughly half of the intrinsic strength of graphene. The fracture toughness, fracture strain and strength converge as the crack length increases, reaching 0.26 J/m3, 0.0217 and 39.9 GPa at a crack length of 8 nm, respectively. The Griffth critical strain energy is 19.98 J/m2 and the critical stress intensity factor Kc is 4.47 MPa M1/2, in good agreement with that of monolayer graphene in the experiment. Our atomic insights might be helpful in the material design of twisted trilayer graphene-based electronics.

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