Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

Heijden, Nadine J. van der; Smith, Daniel G. A.; Calogero, Gaetano; Koster, Rik S.; Vanmaekelbergh, Daniël; Huis, Marijn A. van; Swart, Ingmar

doi:10.1103/physrevb.93.245430

Cited by 13 publications

(16 citation statements)

References 50 publications

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“…This substantial variation of the pattern from one experiment to the next was further illustrated by van der Heijden et al by combining STM and atomic force microscopy (AFM) ( Fig. 6) [52] : although the defect appears asymmetric in the STM image and is different from other reports (cf. e.g.…”

Section: Stm Imaging and Electronic Doping From Sts Spectramentioning

confidence: 62%

Electronic properties of chemically doped graphene

Joucken

Henrard

Lagoute

2019

Phys. Rev. Materials

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Chemical doping of graphene is the most robust way of modifying graphene's electronic properties. We review here the results obtained so far on the electronic structure and transport properties of chemically-doped graphene, focusing on the results obtained with scanning tunneling micropscopy/spectroscopy (STM/S), angle-resolved photoemission spectroscopy (ARPES), and magnetoresistance (MR) measurements. The majority of the results reported have been obtained on nitrogendoped samples, but boron-doped graphene has also been well documented. Besides the appearance of the dopant on STM topographic images, the main questions that have been addressed are the atomic configurations of the doping and their doping efficiency (number of electron/hole brought to the graphene lattice). Both can be addressed by a local probe such as STM/S. The doping efficiency has also been complementary studied via direct visualization of the band structure with ARPES. The effect of the dopants on the electronic transport properties and in particular their influence on the scattering mechanisms is also presented. Finally, avenues for future research efforts are suggested.

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Section: Stm Imaging and Electronic Doping From Sts Spectramentioning

confidence: 62%

Electronic properties of chemically doped graphene

Joucken

Henrard

Lagoute

2019

Phys. Rev. Materials

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“…[56] On the other hand, DFT-based models have often demonstrated to successfully corroborate probe microscopy measurements on graphene, even when involving complex tip functionalizations or inelastic effects. [75][76][77][78] This is due to an accurate description of tip structure and orbital symmetries, as well as charge and potential variations in the sampled regions.…”

Section: Applicationsmentioning

confidence: 99%

Multi-scale approach to first-principles electron transport beyond 100 nm

et al. 2019

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Multi-scale computational approaches are important for studies of novel, low-dimensional electronic devices since they are able to capture the different length-scales involved in the device operation, and at the same time describe critical parts such as surfaces, defects, interfaces, gates, and applied bias, on a atomistic, quantum-chemical level. Here we present a multi-scale method which enables calculations of electronic currents in two-dimensional devices larger than 100 nm 2 , where multiple perturbed regions described by density functional theory (DFT) are embedded into an extended unperturbed region described by a DFT-parametrized tight-binding model. We explain the details of the method, provide examples, and point out the main challenges regarding its practical implementation. Finally we apply it to study current propagation in pristine, defected and nanoporous graphene devices, injected by chemically accurate contacts simulating scanning tunneling microscopy probes. arXiv:1812.08054v2 [cond-mat.mes-hall]

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“…However, DFT-NEGF calculations of STM on almost isolated defects are problematic both due to periodic repetition of the surface unit-cell, including the repetition of the STM probe tips. Here a calculation of the transmission from an "STM"-like tip to graphene [32][33][34][35][36] is calculated via two methods. Namely, a three terminal (left/right graphene/tip) invoking transverse periodicity, and a two terminal (graphene/tip) calculation, both at an applied bias of µ graphene − µ tip = −0.5 eV.…”

Section: Stm Tip On Graphenementioning

confidence: 99%

Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations

et al. 2019

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We describe a method and its implementation for calculating electronic structure and electron transport without approximating the structure using periodic super-cells. This effectively removes spurious periodic images and interference effects. Our method is based on already established methods readily available in the non-equilibrium Green function formalism and allows for nonequilibrium transport. We present examples of a N defect in graphene, finite voltage bias transport in a point-contact to graphene, and a graphene-nanoribbon junction. This method is less costly, in terms of CPU-hours, than the super-cell approximation.

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Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

Cited by 13 publications

References 50 publications

Electronic properties of chemically doped graphene

Electronic properties of chemically doped graphene

Multi-scale approach to first-principles electron transport beyond 100 nm

Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations

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