Point defects and self-diffusion in graphite

Thrower, Peter A.; Mayer, Rayner M.

doi:10.1002/pssa.2210470102

Cited by 295 publications

(168 citation statements)

References 65 publications

(20 reference statements)

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“…In our trilayer graphene on vicinal SiC, defects and interstitials may exist which may be frozen under 100 K and migrate at higher temperatures (100-300 K). 44 The mobility of such interstitial defects could be responsible for the disappearance of the transport gap at temperatures above 100 K ( Figure 6). 25 can provide a band gap of the order of 0.2-0.4 eV which is also in agreement with the electrical measurements ( Figure 6).…”

Section: Resultsmentioning

confidence: 99%

Transport Gap Opening and High On–Off Current Ratio in Trilayer Graphene with Self-Aligned Nanodomain Boundaries

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Huang

et al. 2015

ACS Nano

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Graphene is a single-atom-thick carbon sheet with extraordinary properties unrivalled by any other known material, 1À7 which will likely lead to a revolution in many areas of technology. 8 It displays linear band dispersion, 9,10 massless Dirac Fermions, 11 and extremely high mobility. 12 Potentially, graphene-based electronics could consist of just one or a few layers of graphene; however, the absence of a band gap presents a conundrum for the implementation of conventional device architectures, similar to those based on semiconducting materials. 13À18 Several methods have been proposed for opening band or transport gaps in graphene, such as patterning single-layer graphene into narrow ribbons, 19 introducing nanoholes into the graphene sheets, 20 applying a perpendicular

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Section: Resultsmentioning

confidence: 99%

Transport Gap Opening and High On–Off Current Ratio in Trilayer Graphene with Self-Aligned Nanodomain Boundaries

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Huang

et al. 2015

ACS Nano

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“…This is not quite correct as it is wellknown that a graphite monovacancy at finite temperature is a reactive, dynamic entity. Although vacancy migration in graphite at room temperature is unlikely with migration energies typically reported in the range of a few eV, 56,61 there are indications that covalent binding can take place through vacancies in graphitebased structures. 57, 62 Our results indicate that the geometric effect of vacancies on the surface aggregation of hydrocarbons on graphite is rather small.…”

Section: Discussionmentioning

confidence: 99%

Surfactant and Hydrocarbon Aggregates on Defective Graphite Surface: Structure and Dynamics

2008

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We have simulated the structure and aggregation kinetics of sodium dodecyl sulfate (SDS) and dodecane (C 12 ) on a graphite surface in the presence of point and line defects. We find that while vacancies do not affect the orientational bias of the molecules, they interfere with aggregate formation. Specifically, they disrupt the formation of extended aggregates. Line defects in the form of surface steps, on the other hand, tend to localize the aggregates in their vicinity and induce specific orientations along the step edges. We demonstrate that this orientational bias can be tuned by manipulating the terrace widths. These results suggest that extended defects could be employed to localize and orient surfactant aggregates on the basal plane of graphite, thus providing a means to create patterned aggregate domains.

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“…Experimental evidence, in the form of atomic resolution HRTEM images of single-layer graphene, suggests that these multivacancy morphologies are not routinely observed in this material [21], and recent modeling has also suggested that they are kinetically inaccessible from purely in-plane aggregation of mobile monovacancies in graphene [10]. There is experimental evidence for their existence, however, in bulk irradiated graphite [13,[15][16][17]20], and our results provide a possible explanation for this discrepancy. When vacancies can interact through adjacent planes, new pathways are opened for vacancy coalescence.…”

Section: Discussionmentioning

confidence: 57%

“…However, there is evidence for the formation of vacancy loops (holes), as well as extended defects linking adjacent planes as a result of electron irradiation [13,14]. Large prismatic vacancy loops have been observed to form in neutronirradiated graphite at temperatures above 900 • C [15][16][17]; however, very small loops (six or fewer vacancies) would not have been visible in these experiments [11]. In bulk graphite samples, it is not possible to resolve the positions of individual atoms with HRTEM [18], so the existence of in-plane healed vacancy lines would not be seen.…”

Section: Introductionmentioning

confidence: 99%

Interlayer vacancy diffusion and coalescence in graphite

et al. 2014

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Due to the layered nature of graphite, the migration and interaction of point defects in the graphite crystal structure are highly anisotropic, and it is usually assumed that individual mobile lattice vacancies are confined to diffuse on a single plane. We present the results of ab initio calculations based on density functional theory which demonstrate that vacancies can, in fact, move between adjacent planes when they interact with one another via relatively low energy pathways, often with barriers of less than 1 eV. These interlayer transition mechanisms can significantly alter both the kinetics of point-defect aggregation and coalescence and also the resultant morphologies of multivacancy complexes that form as a result of migrating vacancies interacting.

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Point defects and self-diffusion in graphite

Cited by 295 publications

References 65 publications

Transport Gap Opening and High On–Off Current Ratio in Trilayer Graphene with Self-Aligned Nanodomain Boundaries

Transport Gap Opening and High On–Off Current Ratio in Trilayer Graphene with Self-Aligned Nanodomain Boundaries

Surfactant and Hydrocarbon Aggregates on Defective Graphite Surface: Structure and Dynamics

Interlayer vacancy diffusion and coalescence in graphite

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