Comparative study of melting of graphite and graphene

Fomin, Yu. D.; Бражкин, В. В.

doi:10.1016/j.carbon.2019.10.065

Cited by 40 publications

(19 citation statements)

References 31 publications

(58 reference statements)

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“…The disintegration of the atomic lattice due to atomic heating only (i.e., thermal melting) takes place at atomic temperatures of ∼4000 K. 47 Under the current irradiation conditions, this temperature is reached in the simulated nonadiabatic case at ∼150 fs since time-zero (0 fs). Similar time scales of electronic relaxation in irradiated graphene were reported in the experimental study.…”

Section: Resultsmentioning

confidence: 89%

Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

Medvedev

Noei

Toleikis

et al. 2021

The Journal of Chemical Physics

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The response of a free-standing graphene monolayer exposed to a few tens of femtoseconds long extreme ultraviolet (XUV) pulse was studied theoretically in order to analyze and compare contributions of various mechanisms to the graphene damage, understood here as a global atomic disintegration. Our simulation results indicate that nonthermal disintegration of the atomic structure is the predominant damage mechanism for a free-standing graphene layer. Only at high absorbed doses, charge-induced disintegration of the graphene structure prevails. We also demonstrate that the progressing damage can be probed by femtosecond optical pulses in the soft UV regime (4 eV photon energy). The achieved quantitative understanding of the damage mechanisms may enable a better control of graphene-based devices when they are exposed to x-ray radiation, as well as an efficient processing of graphene layers with ultrashort intense XUV pulses.

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Section: Resultsmentioning

confidence: 89%

Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

Medvedev

Noei

Toleikis

et al. 2021

The Journal of Chemical Physics

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“…This value is comparable to the melting point for the monolayer graphene (4095 K) and the amorphous monolayer graphene (3626 K). 55 Previous works have also predicted a melting point for graphene between 4000 K and 6000 K. [56][57][58] The complete BPN melting takes place at around 5000 K. Up to this critical value, the total energy curve does not show changes in the slope. The slope change observed between 3900 K-5000 K is related to a gain in kinetic energy due to the higher atom velocities in the gas-like phase.…”

Section: Resultsmentioning

confidence: 92%

“…This value is comparable to the one for pristine (4095 K) and amorphous graphene (3626 K). 55 Previous works have also predicted a melting point for graphene between 4000 K and 6000 K. [56][57][58] The BPN complete melting was observed around 5000 K.…”

Section: Discussionmentioning

confidence: 93%

On the mechanical properties and fracture patterns of the nonbenzenoid carbon allotrope (biphenylene network): a reactive molecular dynamics study

et al. 2022

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“…In Figure 4 we present the results for the temperature dependence of the total energy for PG (blue curve) and MAC (black curve), respectively. The MD simulations were carried out using heating ramp protocols, with temperature varying from 100 up to 10000 K. This final temperature is substantially above the graphene melting point (or sublimation temperature), which is approximately 4510 K [31][32][33] and it was used to warrant the almost complete evaporation of both structures.…”

Section: Resultsmentioning

confidence: 99%

On the Mechanical and Thermal Stability of Free-standing Monolayer Amorphous Carbon

Felix,

Tromer,

Junior

et al. 2020

Preprint

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Toh et al., Nature 577, 199 (2020)), the first synthesis of free-standing monolayer amorphous carbon (MAC) was achieved. MAC is a pure carbon structure composed of five, six, seven and eight atom rings randomly distributed. MAC proved to be surprisingly stable and highly fracture resistant. Its electronic properties are similar to boron nitride. In this work, we have investigated the mechanical properties and thermal stability of MAC models using fullyatomistic reactive molecular dynamics simulations. For comparison purposes the results are contrasted against pristine graphene (PG) models of similar dimensions. Our results show that MAC and PG exhibit distinct mechanical behavior and fracture dynamics patterns. While PG after a critical strain threshold goes directly from elastic to brittle regimes, MAC shows different elastic stages between these two regimes. Remarkably, MAC is thermally stable up to 3600 K, which is close to the PG melting point. These exceptional physical properties make MAC-based materials promising candidates for new technologies, such as flexible electronics.

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Comparative study of melting of graphite and graphene

Cited by 40 publications

References 31 publications

Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

On the mechanical properties and fracture patterns of the nonbenzenoid carbon allotrope (biphenylene network): a reactive molecular dynamics study

On the Mechanical and Thermal Stability of Free-standing Monolayer Amorphous Carbon

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