2021
DOI: 10.1016/j.jmrt.2021.01.119
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Electronic and magnetic properties of graphene quantum dots doped with alkali metals

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Cited by 45 publications
(11 citation statements)
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“…Initially, the geometries of O-GQD, BC 2 O-GQD and BCO 2 -GQD are optimized individually. The optimized structures are presented in Fig.1.After the optimization, near the attached functional groups, the C-C bond length changes from its standard value 1.42 Å to 1.5 Å in O-GQD , to ~1.48 Å in BCO 2 -GQD, and 1.52 Å in BC 2 O-GQD, in agreement with previous studies on GQDs[59][60][61][62][63]. The change in C-C bond length strongly depends on the atomic radius of the dopant.…”
supporting
confidence: 88%
“…Initially, the geometries of O-GQD, BC 2 O-GQD and BCO 2 -GQD are optimized individually. The optimized structures are presented in Fig.1.After the optimization, near the attached functional groups, the C-C bond length changes from its standard value 1.42 Å to 1.5 Å in O-GQD , to ~1.48 Å in BCO 2 -GQD, and 1.52 Å in BC 2 O-GQD, in agreement with previous studies on GQDs[59][60][61][62][63]. The change in C-C bond length strongly depends on the atomic radius of the dopant.…”
supporting
confidence: 88%
“…Osman W. and their colleagues use density functional theory to examine the electrical and magnetic properties of armchair-hexagonal (AHEX) and zigzag-triangular (ZTRI) graphene quantum dots doped with alkali metals [ 35 ]. Alkali metals (Li, Na, and K) act as dopants by substituting one of the C-atoms present inside the flake in various locations.…”
Section: Applicationsmentioning
confidence: 99%
“…Choosing a relevant synthesis method is critical for using GQDs in a desired application as the physical and chemical properties of GQDs are sensitive to their size, doping, defects, atomic edge structure, and surface functionalization, which are affected by the fabrication methods. Recent theoretical studies have predicted that the energy gap and edge states of GQDs depend on passivation , and doping . Oxygen passivation can effectively decrease the energy gap in GQDs, and quantum dot shape, edge termination, and functional groups can influence their dipole moments .…”
Section: Introductionmentioning
confidence: 99%