Investigation on the structural, thermal and hydration properties of gold-fullerene nanocomposite

Jayabalaji, G.; Ramya, Laxman; Devi, J. Meena

doi:10.1007/s12039-020-01773-6

Cited by 2 publications

(2 citation statements)

References 72 publications

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“…Despite the plethora of research done on carbon nanomaterials like fullerenes, nanotubes, nanoflakes, etc. 8 – 16 , still, some physicochemical properties have not been fully investigated. In particular, insufficient attention has been paid to the vibrational properties of fullerenes, and how they depend on their size evolution and morphology.…”

Section: Introductionmentioning

confidence: 99%

On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

2021

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The study of nanostructures’ vibrational properties is at the core of nanoscience research. They are known to represent a fingerprint of the system as well as to hint the underlying nature of chemical bonds. In this work, we focus on addressing how the vibrational density of states (VDOS) of the carbon fullerene family (Cn: n = 20 → 720 atoms) evolves from the molecular to the bulk material (graphene) behavior using density functional theory. We find that the fullerene’s VDOS smoothly converges to the graphene characteristic line-shape, with the only noticeable discrepancy in the frequency range of the out-of-plane optic (ZO) phonon band. From a comparison of both systems we obtain as main results that: (1) The pentagonal faces in the fullerenes impede the existence of the analog of the high frequency graphene’s ZO phonons, (2) which in the context of phonons could be interpreted as a compression (by 43%) of the ZO phonon band by decreasing its maximum allowed radial-optic vibration frequency. And 3) as a result, the deviation of fullerene’s VDOS relative to graphene may hold important thermodynamical implications, such as larger heat capacities compared to graphene at room-temperature. These results provide insights that can be extrapolated to other nanostructures containing pentagonal rings or pentagonal defects.

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Section: Introductionmentioning

confidence: 99%

On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

2021

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“…As a consequence of the very interesting properties shown by carbon based nanomaterials, such as mechanical, electronic, optical, and chemical ones, a great number of fundamental investigations and technological applications have been developed since. [2][3][4][5][6][7] Despite the plethora of research done on carbon nanomaterials like fullerenes, nanotubes, nanoflakes, etc., [8][9][10][11][12][13][14][15][16] still some physicochemical properties have not been fully investigated. These include their vibrational properties and how they are related to their size and morphology, being the fullerene family a particular case.…”

Section: Introductionmentioning

confidence: 99%

On the forbidden graphene's ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

Pedroza-Montero,

Garzón,

Sauceda

2021

Preprint

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Investigation on the structural, thermal and hydration properties of gold-fullerene nanocomposite

Cited by 2 publications

References 72 publications

On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

On the forbidden graphene's ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

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