scholarly journals Effect of hydrogen adsorption energy on the electronic and optical properties of Si-modified single-layer graphene with an Al decoration

AIP Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 045012
Author(s):  
Ying Zhang ◽  
Hong Cui ◽  
Weizhi Tian ◽  
Tong Liu ◽  
Yazhou Wang
Keyword(s):  
Optical Properties ◽  
Adsorption Energy ◽  
Hydrogen Adsorption ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Electronic And Optical Properties ◽  
Layer Graphene

scholarly journals Optical Properties of Graphene/MoS2 Heterostructure: First Principles Calculations

Nanomaterials ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 962 ◽  
Author(s):  
Bin Qiu ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Weiwei Yue ◽  
Junfeng Ren ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Density Functional ◽  
Single Layer ◽  
Single Layer Graphene ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Layer Graphene ◽  
Two Dimensional Materials

The electronic structure and the optical properties of Graphene/MoS2 heterostructure (GM) are studied based on density functional theory. Compared with single-layer graphene, the bandgap will be opened; however, the bandgap will be reduced significantly when compared with single-layer MoS2. Redshifts of the absorption coefficient, refractive index, and the reflectance appear in the GM system; however, blueshift is found for the energy loss spectrum. Electronic structure and optical properties of single-layer graphene and MoS2 are changed after they are combined to form the heterostructure, which broadens the extensive developments of two-dimensional materials.

Comparative study of electron transfer on various graphene-metallic contacts

2019 ◽  
Vol 33 (31) ◽  
pp. 1950384
Author(s):  
Di Lu ◽  
Yu-E Yang ◽  
Weichun Zhang ◽  
Caixia Wang ◽  
Jining Fang ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Single Layer ◽  
Annealing Treatment ◽  
Single Layer Graphene ◽  
Strain Effect ◽  
Graphene Surface ◽  
Layer Graphene ◽  
Metallic Contacts ◽  
Nonuniform Strain ◽  
Main Factor

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.

scholarly journals Millisecond lattice gasification for high-density CO2- and O2-sieving nanopores in single-layer graphene

2021 ◽  
Vol 7 (9) ◽  
pp. eabf0116
Author(s):  
Shiqi Huang ◽  
Shaoxian Li ◽  
Luis Francisco Villalobos ◽  
Mostapha Dakhchoune ◽  
Marina Micari ◽  
...  
Keyword(s):  
Single Layer ◽  
High Density ◽  
Single Layer Graphene ◽  
Pore Density ◽  
Vacancy Defects ◽  
Carbon Gasification ◽  
Layer Graphene ◽  
Gas Molecules ◽  
Good Agreement

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.

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