Physical and mechanical properties of C<sub>60</sub>under high pressures and high temperatures

Qiu, Wei; Chowdhury, S.; Hammer, René; Velisavljevic, Nenad; Baker, Paul A.; Vohra, Yogesh K.

doi:10.1080/08957950600834792

Cited by 14 publications

(17 citation statements)

References 22 publications

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“…Buckyball structured fullerenes (C 60 ) are candidate materials for the adsorption of hydrogen as they have open structures and are chemically inert [15,16]. Furthermore, they also have very high mechanical stability at higher pressures and temperatures [17]. The pristine surface of C 60 cannot lead to the efficient adsorption of hydrogen as it is chemically less active.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

Kuganathan

Chroneos

2020

Surfaces

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Hydrogen is considered as one of the promising clean energy sources for future applications including transportation. Nevertheless, the development of materials for its storage is challenging particularly as a fuel in vehicular transport. In the present study, density functional theory simulations for hydrogen adsorption on the surfaces of pristine, Ru-encapsulated, -doped and -supported C60 are reported. The results show that adsorption on the pristine C60 is exoergic and there is an enhancement in the adsorption upon encapsulation of a single Ru atom. The Ru-doped surface also adsorbs H2 more strongly than the pristine surface, but its efficacy is slightly less than the Ru-encapsulated surface. The strongest adsorption is calculated for the C60 surface supported with Ru.

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Section: Introductionmentioning

confidence: 99%

Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

Kuganathan

Chroneos

2020

Surfaces

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Section: Introductionmentioning

confidence: 99%

“…Carbon‐based amorphous and fullerene‐like (FL) materials have a great potential for applications due to their mechanical resiliency 1–3. Bulk FL structures can be realized by high‐temperature and high‐pressure treatment of C 60 fullerite 1–3. These procedures cause amorphization of the original fullerite and provide a hard and elastic 1, 2 or ultrahard 3 material.…”

Section: Introductionmentioning

confidence: 99%

“…Bulk FL structures can be realized by high‐temperature and high‐pressure treatment of C 60 fullerite 1–3. These procedures cause amorphization of the original fullerite and provide a hard and elastic 1, 2 or ultrahard 3 material. Diffraction techniques are widely used to determine the structural changes during such transformations 2–5.…”

Section: Introductionmentioning

confidence: 99%

“…These procedures cause amorphization of the original fullerite and provide a hard and elastic 1, 2 or ultrahard 3 material. Diffraction techniques are widely used to determine the structural changes during such transformations 2–5. Luminescence properties of C 60 fullerene films are also studied for using them in novel electron and optoelectronic devices 6.…”

Section: Introductionmentioning

confidence: 99%

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P‐doped random C₂₀ fullerite – model structure for fullerene‐like CP_x

Czigány

2012

Physica Status Solidi (b)

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Carbon based amorphous and fullerene-like (FL) thin films have a great potential due to their mechanical resiliency. TEM investigation and interpretation of results from fullerene like structures embedded in bulk phases is not straightforward. Here a model is presented for description of the structure of FL-CP 0.1 thin films and to describe all the rings in the electron diffraction pattern in a self consistent way. The model structure consists of random close packed and P doped C 20 clusters resembling a kind of amorphous fullerite (crystals of fullerene cages). The 10% P doping was implemented by creating C 18 P 2 cages by replacing two C atoms by P in the C 20 cage. The simulated electron scattering is in agreement with experimental electron diffraction pattern and reproduces all the observed diffuse diffraction rings of FL-CP 0.1 at ~1.6 Å, ~2.6 Å and ~5.9Å. Simulation of HRTEM images confirmed the amorphous appearance of this nanostructured material A cluster of P doped random close packed C 20 fullerite (right) and its calculated electron diffraction (left) for different average cluster size (expressed in number of atoms).

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Tunable electrical properties of C60·m-xylene and the formation of semiconducting ordered amorphous carbon clusters under pressure

et al. 2022

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Physical and mechanical properties of C₆₀under high pressures and high temperatures

Cited by 14 publications

References 22 publications

Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

P‐doped random C₂₀ fullerite – model structure for fullerene‐like CP_x

Tunable electrical properties of C60·m-xylene and the formation of semiconducting ordered amorphous carbon clusters under pressure

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Physical and mechanical properties of C60under high pressures and high temperatures

Cited by 14 publications

References 22 publications

Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

P‐doped random C20 fullerite – model structure for fullerene‐like CPx

Tunable electrical properties of C60·m-xylene and the formation of semiconducting ordered amorphous carbon clusters under pressure

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Physical and mechanical properties of C₆₀under high pressures and high temperatures

P‐doped random C₂₀ fullerite – model structure for fullerene‐like CP_x