Understanding of Light Absorption Properties of the N-Doped Graphene Oxide Quantum Dot with TD-DFT

2021 ◽  
Author(s):  
Mohammed A. Jabed ◽  
Julia Zhao ◽  
Dmitri Kilin ◽  
Tao Yu
Keyword(s):  
Graphene Oxide ◽  
Quantum Dot ◽  
Light Absorption ◽  
Absorption Properties ◽  
Td Dft ◽  
Doped Graphene

scholarly journals TD-DFT Monitoring of the Absorption Spectra of Polycyclic Aromatic Hydrocarbons over the Basque Country, Spain

2021 ◽  
Vol 2 (4) ◽  
pp. 599-609
Author(s):  
Patricia González-Berdullas ◽  
Luís Pinto da Silva
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Absorption Spectra ◽  
Aromatic Hydrocarbons ◽  
Light Absorption ◽  
Radiative Forcing ◽  
Basque Country ◽  
Absorption Properties ◽  
Td Dft ◽  
Polycyclic Aromatic ◽  
Visible Wavelengths

Brown carbon is a type of carbonaceous aerosol with strong light absorption in the ultraviolet and visible wavelengths that leads to radiative forcing. However, it is difficult to correlate the chemical composition of brown carbon with its atmospheric light absorption properties, which translates into significant uncertainty. Thus, a time-dependent density functional theory (TD-DFT) approach was used to model the real-world absorption properties of 14 polycyclic aromatic hydrocarbons (PAHs) over three regions of the Basque Country (Spain): Bilbao, Urretxu, and Azpeitia. The data were corrected for atmospheric concentration. The results show that the absorption spectra over each region are qualitatively identical, with the absorption intensities being significantly higher over Bilbao than over Azpeitia and Urretxu. Furthermore, it was found that the light absorption by PAHs should be more relevant for radiative forcing when it occurs at UVA and (sub)visible wavelengths. Finally, among the 14 studied PAHs, benzo[b]fluoranthene, pyrene, fluoranthene, benzo[a]pyrene, and benzo[k]fluoranthene and benzoperylene were identified as the molecules with larger contributions to radiative forcing.

scholarly journals Effect of thiophene S on the enhanced ORR electrocatalytic performance of sulfur-doped graphene quantum dot/reduced graphene oxide nanocomposites

RSC Advances ◽  
2018 ◽  
Vol 8 (35) ◽  
pp. 19635-19641 ◽  
Author(s):  
Fei Li ◽  
Lang Sun ◽  
Yi Luo ◽  
Ming Li ◽  
Yongjie Xu ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Electron Transfer ◽  
Graphene Oxide ◽  
Quantum Dot ◽  
Reduced Graphene Oxide ◽  
Graphene Quantum Dots ◽  
Graphene Quantum Dot ◽  
Reduced Graphene ◽  
Doped Graphene ◽  
Transfer Numbers

Thiophene S of sulfur-doped graphene quantum dots play an important role in electrocatalysis by increasing the electron transfer numbers.

NiAg-graphene quantum dot-graphene hybrid with high oxidase-like catalytic activity for sensitive colorimetric detection of malathion

2021 ◽  
Author(s):  
Xu Dan ◽  
Ruiyi Li ◽  
Qinsheng Wang ◽  
Yongqiang Yang ◽  
Haiyan Zhu ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Graphene Oxide ◽  
Catalytic Activity ◽  
Quantum Dot ◽  
Colorimetric Detection ◽  
Graphene Quantum Dots ◽  
Functionalized Graphene ◽  
Graphene Quantum Dot ◽  
Nickel Silver

The paper reports the synthesis of nickel-silver-graphene quantum dot-graphene hybrid. Histidine-functionalized graphene quantum dots (His-GQDs) were bonded to graphene oxide (GO) and then combined with Ni2+ and Ag+ to form...

Bimetallic Mixed Metal Oxide (CuO/NiO) In Fusion with Nitrogen-doped Graphene Oxide: An Alternate Approach for Developing Potential Biocarrier

2021 ◽  
pp. 105781
Author(s):  
Periasamy Anbu ◽  
Subash C.B. Gopinath ◽  
Kandasamy Saravanakumar ◽  
Sekar Vijayakumar ◽  
Santheraleka Ramanathan ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Metal Oxide ◽  
Mixed Metal Oxide ◽  
Mixed Metal ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene
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