Interlayer conduction band states in graphite-sulfur composites

Kurmaev, E.Z.; Галахов, А. В.; Moewes, A.; Moehlecke, S.; Kopelevich, Y.

doi:10.1103/physrevb.66.193402

Cited by 48 publications

(40 citation statements)

References 21 publications

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“…[17] Since the disulfide linkages that can be formed are sensitive to biological and chemical stimuli, it is possible to selectively attach or detach thiolated biological molecules. [17] Finally, we investigated sulfur-doped graphene sheets for three reasons: First, superconductive properties were recently observed in sulfurdoped graphite, [18] and thus, the present work may help to understand such an important effect. Second, sulfur atoms introduced into graphene sheets, synthesized as described by Novoselov et al, [19] may help to improve the interaction between the sheet and surfaces such as AuA C H T U N G T R E N N U N G (111).…”

Section: Introductionmentioning

confidence: 97%

Is It Possible to Dope Single‐Walled Carbon Nanotubes and Graphene with Sulfur?

2009

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Herein, we investigate sulfur substitutional defects in single-walled carbon nanotubes (SWCNTs) and graphene by using first-principles calculations. The estimated formation energies for the (3,3), (5,5), and (10,0) SWCNTs and graphene lie between 0.9 and 3.8 eV, at sulfur concentrations of 1.7-4 atom %. Thus, from a thermodynamic standpoint, sulfur doping is not difficult. Indeed, these values can be compared with that of 0.7 eV obtained for a nitrogen-doped (5,5) SWCNT. We suggest that it may be possible to introduce sulfur into the SWCNT framework by employing sulfur-containing heterocycles. Our simulations indicate that sulfur doping can modify the electronic structure of the SWCNTs and graphene, depending on the sulfur content. In the case of graphene, sulfur doping can induce different effects: the doped sheet can be a small-band-gap semiconductor, or it can have better metallic properties than the pristine sheet. Thus, S-doped graphene may be a smart choice for constructing nanoelectronic devices, since it is possible to modulate the electronic properties of the sheet by adjusting the amount of sulfur introduced. Different synthetic routes to produce sulfur-doped graphene are discussed.

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Section: Introductionmentioning

confidence: 97%

Is It Possible to Dope Single‐Walled Carbon Nanotubes and Graphene with Sulfur?

2009

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“…[11,12] Sulfur doping of graphene materials is relatively recent, [12][13][14][15] although the occurrence of superconductivity in graphite-sulfur composites has been reported in the early 2000s. [16,17] Properties such as catalytic activity, stability, and enhanced conductivity observed in sulfur-doped graphenes are convenient for applications in fuel and solar cells with improved performance. [13,14] Inserted sulfur could also actuate in anchoring of gold nanoparticles or alkyl chains by reaction with alkyl halides, which could be useful in catalytic and electrochemical systems.…”

Section: Introductionmentioning

confidence: 99%

Interconversion and selective reactivity of sulfur dioxide reduction intermediates inserted on graphene oxide

Smaniotto

Humeres

Debacher

et al. 2016

J of Physical Organic Chem

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Graphene oxide, MPGO, was obtained by oxidation of graphite microparticles by a H 2 SO 4 /KMnO 4 /H 2 O 2 mixture followed by thermal exfoliation. Non-thermal plasma treatment of MPGO under SO 2 atmosphere resulted in the insertion of the oxidized intermediates only. Refluxing this material in CS 2 (46°C) showed sulfur elimination and interconversion of the oxidized into non-oxidized intermediates with an energetic barrier of ΔG ‡ = 25.81 kcal mol À1 without decarboxylation. The episulfide content in modified MPGO increases with respect to the oxidized intermediates when increasing temperature. Modification of MPGO with SO 2 at 630°C presented exclusively the non-oxidized intermediate. These results support the hypothesis that there are two major reactions with different energetic demand in the SO 2 reduction on carbons: desulfurization and decarboxylation. The selectivity of thiolysis and aminolysis towards the intermediates inserted in the MPGO matrix allowed the aminothiolysis of a sample containing both intermediates with the insertion of the amino group on the episulfide site followed by an intramolecular thiolysis with double functionalization of the matrix.

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“…While nowadays the high potential of such materials for energy applications in fuel cells, supercapacitors or batteries is continuously discovered and exploited, until only a few years ago, only little had been known about such sulphur-doped carbonaceous species. The knowledge mainly ranged from graphite-sulphur-composite materials and their superconductive behaviour 106,107 towards theoretical studies about the effects of single sulphur atoms in carbon nanotubes or graphene sheets.…”

Section: Sulphurmentioning

confidence: 99%

Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications

Paraknowitsch

Thomas

2013

Energy Environ. Sci.

1,674

999

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Heteroatom doped carbon materials represent one of the most prominent families of materials that are used in energy related applications, such as fuel cells, batteries, hydrogen storage or supercapacitors. While doping carbons with nitrogen atoms has experienced great progress throughout the past decades and yielded promising material concepts, also other doping candidates have gained the researchers' interest in the last few years. Boron is already relatively widely studied, and as its electronic situation is contrary to the one of nitrogen, codoping carbons with both heteroatoms can probably create synergistic effects. Sulphur and phosphorus have just recently entered the world of carbon synthesis, but already the first studies published prove their potential, especially as electrocatalysts in the cathodic compartment of fuel cells. Due to their size and their electronegativity being lower than those of carbon, structural distortions and changes of the charge densities are induced in the carbon materials. This article is to give a state of the art update on the most recent developments concerning the advanced heteroatom doping of carbon that goes beyond nitrogen. Doped carbon materials and their applications in energy devices are discussed with respect to their boron-, sulphur-and phosphorus-doping. Broader contextThe research and design of novel materials that are applicable in various energy devices represent one of the central and most thriving subjects within today's scientic work. The challenges do not only rely on the tremendous need to overcome traditional fossil fuel based energy recovery. While a lot of sustainable concepts already exist, these require the development of high performance materials that are able to cope with certain challenges, e.g. the dependence on highly expensive and rather not abundantly available noble metals, and also a lack of long term stability of those. Researchers have been carrying out numerous studies concentrating on nding alternative materials that can be applied in novel energy devices. Those alternative materials should most preferably be free of noble metals, avoid expensive precursor systems, be sustainable and not rely on the fossil energy sources that are to be replaced, and of course exhibit high activity in the devices they are designed for. One class of materials in whose development and understanding researchers have put strong effort is heteroatom-doped carbon materials. By heteroatom doping the properties are altered compared to crude carbon materials. The by far most intensely studied doping candidate is nitrogen, capable of not only increasing electric conductivity, but also the catalytic activity of carbons. Such N-doped carbons have advanced tremendously in the past few years, especially by proving their usefulness as electrocatalysts for the reduction of oxygen in fuel cell cathodes, or as electrode materials in supercapacitors. Meanwhile the spectrum of doping has been widened, and novel doped carbons have been reported, indicating the promising pote...

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Interlayer conduction band states in graphite-sulfur composites

Cited by 48 publications

References 21 publications

Is It Possible to Dope Single‐Walled Carbon Nanotubes and Graphene with Sulfur?

Is It Possible to Dope Single‐Walled Carbon Nanotubes and Graphene with Sulfur?

Interconversion and selective reactivity of sulfur dioxide reduction intermediates inserted on graphene oxide

Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications

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