Theoretical study on electronic properties of curved graphene quantum dots

2018 ◽  
Vol 1140 ◽  
pp. 86-97 ◽  
Author(s):  
Naruwan Pattarapongdilok ◽  
Vudhichai Parasuk
Keyword(s):  
Quantum Dots ◽  
Electronic Properties ◽  
Theoretical Study ◽  
Graphene Quantum Dots

Theoretical study on the optical and electronic properties of graphene quantum dots doped with heteroatoms

2018 ◽  
Vol 20 (22) ◽  
pp. 15244-15252 ◽  
Author(s):  
Jianguang Feng ◽  
Hongzhou Dong ◽  
Beili Pang ◽  
Feifei Shao ◽  
ChunKai Zhang ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Charge Transfer ◽  
Electronic Properties ◽  
Theoretical Study ◽  
Graphene Quantum Dots ◽  
Electron Densities ◽  
Optical And Electronic Properties ◽  
Td Dft

By the TD-DFT approach, we demonstrate that heteroatoms can assist charge transfer and alter the distribution of electron densities in doped-GQDs.

scholarly journals Electronic properties and quasi-zero-energy states of graphene quantum dots

2021 ◽  
Vol 103 (23) ◽  
Author(s):  
H. V. Grushevskaya ◽  
G. G. Krylov ◽  
S. P. Kruchinin ◽  
B. Vlahovic ◽  
Stefano Bellucci
Keyword(s):  
Quantum Dots ◽  
Electronic Properties ◽  
Graphene Quantum Dots ◽  
Zero Energy ◽  
Energy States

Can inorganic salts tune electronic properties of graphene quantum dots?

2015 ◽  
Vol 17 (26) ◽  
pp. 17413-17420 ◽  
Author(s):  
Guilherme Colherinhas ◽  
Eudes Eterno Fileti ◽  
Vitaly V. Chaban
Keyword(s):  
Density Functional Theory ◽  
Quantum Dots ◽  
Band Gap ◽  
Electronic Properties ◽  
Density Functional ◽  
Graphene Quantum Dots ◽  
Inorganic Salts ◽  
Ionic Clusters ◽  
Functional Theory ◽  
Free Ions

In this work, we apply density functional theory to study the effect of neutral ionic clusters adsorbed on the GQD surface. We conclude that both the HOMO and the LUMO of GQDs are very sensitive to the presence of ions and to their distance from the GQD surface. However, the alteration of the band gap itself is modest, as opposed to the case of free ions (recent reports). Our work fosters progress in modulating electronic properties of nanoscale carbonaceous materials.

How does the porphyrin-like vacancy affect the spectral properties of graphene quantum dots? A theoretical study

2020 ◽  
Vol 32 (15) ◽  
pp. 155902 ◽  
Author(s):  
Hui-Cong Li ◽  
Wei Jian ◽  
Yuan Li ◽  
Ran Jia ◽  
Jian Wang ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Spectral Properties ◽  
Theoretical Study ◽  
Graphene Quantum Dots

scholarly journals Detection of Heavy Metals in Water Using Graphene Oxide Quantum Dots: An Experimental and Theoretical Study

Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5519
Author(s):  
Lorenzo Gontrani ◽  
Olivia Pulci ◽  
Marilena Carbone ◽  
Roberto Pizzoferrato ◽  
Paolo Prosposito
Keyword(s):  
Heavy Metals ◽  
Quantum Dots ◽  
Graphene Oxide ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Theoretical Study ◽  
Graphene Quantum Dots ◽  
Emission Spectra ◽  
Optical Response ◽  
Graphene Oxide Quantum Dots

In this work, we investigate by ab initio calculations and optical experiments the sensitivity of graphene quantum dots in their use as devices to measure the presence, and concentration, of heavy metals in water. We demonstrate that the quenching or enhancement in the optical response (absorption, emission) depends on the metallic ion considered. In particular, two cases of opposite behaviour are considered in detail: Cd2+, where we observe an increase in the emission optical response for increasing concentration, and Pb2+ whose emission spectra, vice versa, are quenched along the concentration rise. The experimental trends reported comply nicely with the different hydration patterns suggested by the models that are also capable of reproducing the minor quenching/enhancing effects observed in other ions. We envisage that quantum dots of graphene may be routinely used as cheap detectors to measure the degree of poisoning ions in water.

Optical graphene quantum dots gas sensors: Theoretical study

2018 ◽  
Vol 114 ◽  
pp. 321-330 ◽  
Author(s):  
D. Raeyani ◽  
S. Shojaei ◽  
S. Ahmadi-Kandjani
Keyword(s):  
Quantum Dots ◽  
Gas Sensors ◽  
Theoretical Study ◽  
Graphene Quantum Dots

Opto-electronic properties of twisted bilayer graphene quantum dots

2019 ◽  
Vol 112 ◽  
pp. 36-48 ◽  
Author(s):  
A. Tiutiunnyk ◽  
C.A. Duque ◽  
F.J. Caro-Lopera ◽  
M.E. Mora-Ramos ◽  
J.D. Correa
Keyword(s):  
Quantum Dots ◽  
Electronic Properties ◽  
Graphene Quantum Dots ◽  
Bilayer Graphene ◽  
Twisted Bilayer Graphene
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