Doping of Graphene by Nitrogen, Boron, and Other Elements

Govindaraj, A.; Rao, C. N. R.

doi:10.1002/9783527672790.ch10

Cited by 6 publications

(4 citation statements)

References 144 publications

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“…In molecular electronics, heteroatom doping of graphene is of high importance, as it changes the electronic structure of the material, opening new possibilities for device applications . However, current production methods , lead to random incorporation of the dopant, and fine structural details regarding heteroatom doping are often unavailable. There are also intrinsic limits regarding the level and pattern of doping achievable using high-temperature methods .…”

Section: Introductionmentioning

confidence: 99%

Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications

et al. 2016

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Two-dimensionally extended, polycyclic heteroaromatic molecules (heterocyclic nanographenes) are a highly versatile class of organic materials, applicable as functional chromophores and organic semiconductors. In this Review, we discuss the rich chemistry of large heteroaromatics, focusing on their synthesis, electronic properties, and applications in materials science. This Review summarizes the historical development and current state of the art in this rapidly expanding field of research, which has become one of the key exploration areas of modern heterocyclic chemistry.

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Section: Introductionmentioning

confidence: 99%

Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications

et al. 2016

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“…As the number of BN substitutions is limited to 8 in pyrene as compared to 30 in C 60 , the expected increase in efficiency is definitely substantial. If successful, this approach could be used routinely in alchemical studies on BN substitution of carbon nanotubes and its graphene analogues. − …”

Section: Introductionmentioning

confidence: 99%

Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C₆₀

Balawender

Lesiuk

Proft

et al. 2018

J. Chem. Theory Comput.

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With the idea of using alchemical derivatives to explore in an efficient, computer- and cost-effective way Chemical Space was launched several years ago. In the context of Conceptual DFT response functions, these energies vs nuclear charge derivatives permit the estimatation of the energy of transmutants of a given starting or reference molecule showing different nuclear compositions. After an explorative study on small and planar molecules ( Balawender et al. J. Chem. Theory Comput. 2013 , 9 , 5327 ) by the present authors of this paper, the present study fully exploits the computational advantages of the alchemical derivatives in larger three-dimensional systems. Starting from a single reference calculation on C, the complete BN substitution pattern, from single substituted CBN via the belt (C(BN) and the ball C(BN) structures to the fully substituted (BN), is explored. Successive and simultaneous substitution strategies are followed and compared, indicating that both techniques yield identical results up to 13 substitutions but that for higher substitutions the simultaneous approach needs to be taken. Due to the cost-efficiency of the algorithm this path can indeed be followed as opposed to earlier work in the literature where for each step a full SCF calculation was at stake leading to prohibitively large computational demands for adopting the simultaneous approach. Previously formulated rules governing the substitution pattern by Kar and co-workers are scrutinized in this context and reformulated giving chemical insight in the gradual substitution process and the relative energies of the isomers. In its present form the method offers an interesting venue to study BN substitution patterns in higher fullerenes and graphene and in general paves the way for more efficient exploration of the Chemical Space.

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“…Doping graphene with heteroatoms is a standout among other available strategies to modify its electronic and electrochemical properties. , Recently, boron-doped graphene (BG) has been very well researched due to its exciting properties in the areas of fuel cells, supercapacitors, and batteries. − Boron doping in a carbon matrix is reported to create several lattice defects on the adjacent sites and perturbs the charge distribution, which could initiate charge exchange between neighboring carbon atoms and improve the electrocatalytic activity . For the synthesis of BG, a variety of methods have been reported, including chemical vapor deposition (CVD), arc discharge, thermal treatment, and solvothermal treatment of graphite oxide in the presence of borides. Recently, B doping has been achieved by thermally treating a mixture of boron oxides (such as B 2 O 3 and H 3 BO 3 ) or boron halides with graphite at a high temperature.…”

Section: Introductionmentioning

confidence: 99%

“…23−25 Boron doping in a carbon matrix is reported to create several lattice defects on the adjacent sites and perturbs the charge distribution, which could initiate charge exchange between neighboring carbon atoms and improve the electrocatalytic activity. 22 For the synthesis of BG, a variety of methods have been reported, including chemical vapor deposition (CVD), 26 arc discharge, 27 thermal treatment, 23 and solvothermal treatment 28 of graphite oxide in the presence of borides. Recently, B doping has been achieved by thermally treating a mixture of boron oxides (such as B 2 O 3 and H 3 BO 3 ) or boron halides with graphite at a high temperature.…”

Section: Introductionmentioning

confidence: 99%

In SituSynthesis of Silver Nanospheres, Nanocubes, and Nanowires over Boron-Doped Graphene Sheets for Surface-Enhanced Raman Scattering Application and Enzyme-Free Detection of Hydrogen Peroxide

Nair

Nair²,

Thomas

et al. 2018

Langmuir

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An effective in situ synthesis strategy is demonstrated for the preparation of silver nanostructures (nanospheres (NSs), nanocubes (NCs), and nanowires (NWs)) on the surface of boron-doped graphene (BG). Further, these functional nanomaterials are employed for the surface-enhanced Raman scattering (SERS) and non-enzymatic electrochemical detection of H 2 O 2 . The results confirm the superior performance of BG-Ag nanostructures as SERS platform. Among various geometries of silver nanoparticles studied in this work, we find that the AgNCs over BG (BG-AgNC) present outstanding SERS performance for detecting 4-mercaptobenzoic acid, with a limit of detection of 1.0 × 10 −13 M. Furthermore, BG-AgNC exhibits excellent capability to detect melamine as low as 1.0 × 10 −9 M. Electrochemical results confirm that the BG-AgNW-based platform exhibits a superior biosensing performance toward H 2 O 2 detection. The enhanced performance is due to the presence of graphene, which improves the conductivity and provides more active sites. The synthesis of doped graphene with metallic nanoparticles described in this work is expected to be a key strategy for the development of an efficient SERS and electrochemical sensor that offers simplicity, cost-effectiveness, long-term stability, and better reproducibility.

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Doping of Graphene by Nitrogen, Boron, and Other Elements

Cited by 6 publications

References 144 publications

Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications

Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications

Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C₆₀

In SituSynthesis of Silver Nanospheres, Nanocubes, and Nanowires over Boron-Doped Graphene Sheets for Surface-Enhanced Raman Scattering Application and Enzyme-Free Detection of Hydrogen Peroxide

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Doping of Graphene by Nitrogen, Boron, and Other Elements

Cited by 6 publications

References 144 publications

Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications

Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications

Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C60

In SituSynthesis of Silver Nanospheres, Nanocubes, and Nanowires over Boron-Doped Graphene Sheets for Surface-Enhanced Raman Scattering Application and Enzyme-Free Detection of Hydrogen Peroxide

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Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C₆₀