scholarly journals Молекулы фуллерена C-=SUB=-60-=/SUB=- под однослойным графеном на металлической подложке

Author(s):  
С.Ш. Рехвиашвили ◽  
М.М. Бухурова

The article discusses a hybrid nanomaterial - a monolayer of C60 molecules, which is located between a single-layer graphene and a metal substrate. Using the Lennard-Jones potential, formulas for the specific interaction energy of C60 fullerene molecules with single-layer graphene and a thick substrate are obtained. The specific energy of graphene adhesion and the equilibrium parameters of the considered nanostructure are calculated. The obtained theoretical results agree with the available experimental results.

Author(s):  
Z. Wei ◽  
C. Dames ◽  
Y. Chen

A non-equilibrium molecular dynamics model is developed to calculate the thermal conductivity of single layer graphene supported on silicon dioxide. We use the Tersoff potential to describe the carbon-carbon interactions within graphene, and a Lennard-Jones (LJ) potential to describe the interactions between graphene and silicon dioxide. To overcome possible artifacts of thermal expansion, the model avoids using any periodic or fixed boundary conditions for the graphene flake. For both smooth and rough substrates, the simulations show that increasing the LJ coupling strength between graphene and substrate can reduce the in-plane thermal conductivity of graphene. We also investigated the effects of roughness. The simulations show that the thermal conductivity is sensitive to the roughness only when the coupling is large. These results indicate how the thermal properties of graphene may be modified by adjusting the coupling and roughness of the substrate.


2019 ◽  
Vol 33 (31) ◽  
pp. 1950384
Author(s):  
Di Lu ◽  
Yu-E Yang ◽  
Weichun Zhang ◽  
Caixia Wang ◽  
Jining Fang ◽  
...  

We have investigated Raman spectra of the G and 2D lines of a single-layer graphene (SLG) with metallic contacts. The shift of the G and 2D lines is correlated to two different factors. Before performing annealing treatment or annealing under low temperature, the electron transfer on graphene surface is dominated by nonuniform strain effect. As the annealing treatment is enhanced, however, a suitable annealing treatment can eliminate the nonuniform strain effect where the relative work function (WF) between graphene and metal becomes a main factor to determine electronic transfer. Moreover, it is confirmed that the optimized annealing treatment can also decrease effectively the structural defect and induced disorder in graphene due to metallic contacts.


2021 ◽  
Vol 7 (9) ◽  
pp. eabf0116
Author(s):  
Shiqi Huang ◽  
Shaoxian Li ◽  
Luis Francisco Villalobos ◽  
Mostapha Dakhchoune ◽  
Marina Micari ◽  
...  

Etching single-layer graphene to incorporate a high pore density with sub-angstrom precision in molecular differentiation is critical to realize the promising high-flux separation of similar-sized gas molecules, e.g., CO2 from N2. However, rapid etching kinetics needed to achieve the high pore density is challenging to control for such precision. Here, we report a millisecond carbon gasification chemistry incorporating high density (>1012 cm−2) of functional oxygen clusters that then evolve in CO2-sieving vacancy defects under controlled and predictable gasification conditions. A statistical distribution of nanopore lattice isomers is observed, in good agreement with the theoretical solution to the isomer cataloging problem. The gasification technique is scalable, and a centimeter-scale membrane is demonstrated. Last, molecular cutoff could be adjusted by 0.1 Å by in situ expansion of the vacancy defects in an O2 atmosphere. Large CO2 and O2 permeances (>10,000 and 1000 GPU, respectively) are demonstrated accompanying attractive CO2/N2 and O2/N2 selectivities.


2021 ◽  
Vol 18 (3) ◽  
pp. 316-320 ◽  
Author(s):  
Heejin Lim ◽  
Sun Young Lee ◽  
Yereum Park ◽  
Hyeonggyu Jin ◽  
Daeha Seo ◽  
...  

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