Bandgap Engineering of Graphene by Physisorbed Adsorbates

Kozlov, Sergey M.; Viñes, Francesc; Görling, Andreas

doi:10.1002/adma.201100171

Cited by 84 publications

(73 citation statements)

References 28 publications

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“…Recently, graphene, or a layer of graphite, [4] has attracted attention due to the electrical properties such as ambipolar field effect [4], high carrier mobility [5–7], and quantum Hall effect at room temperature [8–13]. And, huge efforts have been made to tune the electronic structure of graphene theoretically [14–16] and experimentally [17–19]. Different from graphene, h-BN is electrically an insulator with a wide band gap of about 5 eV [20–24].…”

Section: Introductionmentioning

confidence: 99%

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

Kim

Song

et al. 2017

Nano Convergence

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Hexagonal boron nitride (h-BN) is an electrical insulator with a large band gap of 5 eV and a good thermal conductor of which melting point reaches about 3000 °C. Due to these properties, much attention was given to the thermal stability rather than the electrical properties of h-BN experimentally and theoretically. In this study, we report calculations that the electronic structure of monolayer h-BN can be influenced by the presence of a vacancy defect which leads to a geometric deformation in the hexagonal lattice structure. The vacancy was varied from mono- to tri-vacancy in a supercell, and different defective structures under the same vacancy density were considered in the case of an odd number of vacancies. Consequently, all cases of vacancy defects resulted in a geometric distortion in monolayer h-BN, and new energy states were created between valence and conduction band with the Fermi level shift. Notably, B atoms around vacancies attracted one another while repulsion happened between N atoms around vacancies, irrespective of vacancy density. The calculation of formation energy revealed that multi-vacancy including more B-vacancies has much lower formation energy than vacancies with more N-vacancies. This work suggests that multi-vacancy created in monolayer h-BN will have more B-vacancies and that the presence of multi-vacancy can make monolayer h-BN electrically conductive by the new energy states and the Fermi level shift.

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Section: Introductionmentioning

confidence: 99%

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

Kim

Song

et al. 2017

Nano Convergence

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“…13−16 There have been also a number of theoretical studies reported which often focus on the changes in the band structure of graphene due to the adsorption of organic molecules with the goal to identify a molecule which leads to the opening of a band gap at the K point. 17−19 On the other hand, graphene is in contact with a support layer, on which it either has been grown via chemical vapor deposition (CVD) or placed via a transfer technique. Because of the single-atom-thickness of graphene, adsorbed molecules will likely “feel” the underlying substrate and thus, the molecular layer formation as well as the electronic properties will depend on both the interaction with graphene and the underlying substrate.…”

Section: Introductionmentioning

confidence: 99%

1,3,5-Benzenetribenzoic Acid on Cu(111) and Graphene/Cu(111): A Comparative STM Study

Gottardi

Solianyk

et al. 2016

J. Phys. Chem. C

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The self-assembly of 1,3,5-benzenetribenzoic acid (BTB) molecules on both Cu(111) and epitaxial graphene grown on Cu(111) were studied by scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED) under ultrahigh vacuum conditions. On Cu(111), the BTB molecules were found to mainly arrange in close-packed structures through H-bonding between the (partially) deprotonated carboxylic acid groups. In addition, porous structures formed by intact BTB molecules-and also based on H-bonding-were observed. On graphene grown on Cu(111) the BTB molecules mainly form porous structures accompanied by small patches of disordered close-packed structures. Upon annealing, BTB adsorbed on Cu(111) is fully deprotonated and arranges in the close-packed structure while in contrast on graphene/Cu(111) the porous network is exclusively formed. This shows that the molecular self-assembly behavior is highly dependent on the first substrate layer: one graphene layer is sufficient to considerably alter the interplay of molecule substrate and intermolecular interactions in favor of the latter interactions.

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“…For instance, the adsorbed hydrogen atoms were demonstrated to open the zero bandgap of graphene [1]. Tunable bandgap engineering of graphene was also realized by physisorbed organic adsorbates [2]. In addition to graphene, physisorbed molecules also largely influenced the properties of 2D transition metal dichalcogenides (TMDCs).…”

Section: Introductionmentioning

confidence: 99%

“…Two-dimensional (2D) materials have quite large surface to volume ratio and thus their properties are inevitably affected by various physisorbed adsorbates on their top surface at ambient condition [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. For instance, the adsorbed hydrogen atoms were demonstrated to open the zero bandgap of graphene [1].…”

Section: Introductionmentioning

confidence: 99%

The influence of two-dimensional organic adlayer thickness on the ultralow frequency Raman spectra of transition metal dichalcogenide nanosheets

Shi

Liu

et al. 2018

Sci. China Mater.

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Recently, it has been reported that physisorbed adsorbates can be trapped between the bottom surface of twodimensional (2D) materials and supported substrate to form 2D confined films. However, the influence of such 2D confined adsorbates on the properties of 2D materials is rarely explored. Herein, we combined atomic force microscopy (AFM), Kelvin probe force microscopy (KPFM) and Raman spectroscopy especially the ultralow frequency (ULF) Raman spectroscopy to explore the influence of 2D confined organic adlayer thickness on the ULF breathing modes of few-layer MoS 2 and WSe 2 nanosheets. As the thickness of organic adlayers increased, red shift, coexistence of blue and red shifts as well as blue shift of ULF breathing mode was observed. KPFM measurement confirmed the enhanced n-doping and p-doping behaviors of organic adlayers as their thickness increased, respectively. Our results will provide new insights into the interaction between 2D confined adsorbates and bottom surface of 2D nanosheets, which could be useful for modulating properties of 2D materials.

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Bandgap Engineering of Graphene by Physisorbed Adsorbates

Cited by 84 publications

References 28 publications

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

1,3,5-Benzenetribenzoic Acid on Cu(111) and Graphene/Cu(111): A Comparative STM Study

The influence of two-dimensional organic adlayer thickness on the ultralow frequency Raman spectra of transition metal dichalcogenide nanosheets

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