79‐4: Theoretical Prediction of Changes in Emission and Absorption Spectra of InP‐ and InGaP‐based Quantum Dots and Comparison with Experimental Measurement of InP‐based Quantum Dots

2020 ◽  
Vol 51 (1) ◽  
pp. 1182-1185
Author(s):  
Seungin Baek ◽  
Younho Han ◽  
Deokho Jang ◽  
Jungho Kim ◽  
Sangwoo Ha ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Theoretical Prediction ◽  
Absorption Spectra ◽  
Experimental Measurement ◽  
Emission And Absorption Spectra

scholarly journals Thermo-responsive and shape-morphing CF/GF composite skin: Full-field experimental measurement, theoretical prediction, and finite element analysis

2021 ◽  
Vol 160 ◽  
pp. 106874
Author(s):  
Jamal Seyyed Monfared Zanjani ◽  
Pouya Yousefi Louyeh ◽  
Isa Emami Tabrizi ◽  
Abdulrahman Saeed Al-Nadhari ◽  
Mehmet Yildiz
Keyword(s):  
Finite Element Analysis ◽  
Finite Element ◽  
Theoretical Prediction ◽  
Experimental Measurement ◽  
Element Analysis ◽  
Full Field ◽  
Shape Morphing

X-ray emission and absorption spectra of carbon nitride films prepared by laser ablation

1999 ◽  
Vol 28 (6) ◽  
pp. 509-514 ◽  
Author(s):  
H. Izumi ◽  
T. Kaneyoshi ◽  
T. Ishihara ◽  
H. Yoshioka ◽  
H. Matsui ◽  
...  
Keyword(s):  
Laser Ablation ◽  
Absorption Spectra ◽  
Carbon Nitride ◽  
X Ray ◽  
Emission And Absorption Spectra

scholarly journals Effects of Aromatic Thiol Capping Agents on the Structural and Electronic Properties of CdnTen (n = 6,8 and 9) Quantum Dots

2021 ◽  
Vol 8 ◽  
Author(s):  
Muhammad Imran ◽  
Muhammad Jawwad Saif ◽  
Tahir Farooq ◽  
Javed Iqbal
Keyword(s):  
Quantum Dots ◽  
Electronic Properties ◽  
Absorption Spectra ◽  
Capping Agents ◽  
Aromatic Thiol ◽  
Td Dft ◽  
Structural And Electronic Properties ◽  
Aromatic Thiols ◽  
Capping Ligands ◽  
Homo Lumo

Thiols are efficient capping agents used for the synthesis of semiconductor and metal nanoparticles. Commonly, long-chain thiols are used as passivating agents to provide stabilization to nanoparticles. Theoretical methods rarely reported aromatic thiol ligands’ effects on small-sized CdTe quantum dots’ structural and electronic properties. We have studied and compared the structural and electronic properties of (i) bare and (ii) aromatic thiols (thiophenol, 4-methoxybenzenethiol, 4-mercaptobenzonitrile, and 4-mercaptobenzoic acid) capped CdnTen quantum dots (QDs). Aromatic thiols are used as thiol-radical because of the higher tendency of thiol-radicals to bind with Cd atoms. This work provides an understanding of how the capping agents affect specific properties. The results show that all aromatic thiol-radical ligands caused significant structural distortion in the geometries. The aromatic thiol-radical ligands stabilize LUMOs, stabilize or destabilize HOMOs, and decrease HOMO-LUMO gaps for all the capped QDs. The stabilization of LUMOs is more pronounced than the destabilization of HOMOs. We also studied the effect of solvent on structural and electronic properties. TD-DFT calculations were performed to calculate the absorption spectra of bare and capped QDs, and all the capping ligands resulted in the redshift of absorption spectra.

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