scholarly journals Highly Selective SAM-Nanowire Hybrid NO2Sensor: Insight into Charge Transfer Dynamics and Alignment of Frontier Molecular Orbitals

2013 ◽  
Vol 24 (5) ◽  
pp. 595-602 ◽  
Author(s):  
Martin W. G. Hoffmann ◽  
Joan Daniel Prades ◽  
Leonhard Mayrhofer ◽  
Francisco Hernandez-Ramirez ◽  
Tommi T. Järvi ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Molecular Orbitals ◽  
Frontier Molecular Orbitals ◽  
Charge Transfer Dynamics ◽  
Insight Into

scholarly journals Sensors: Highly Selective SAM-Nanowire Hybrid NO2 Sensor: Insight into Charge Transfer Dynamics and Alignment of Frontier Molecular Orbitals (Adv. Funct. Mater. 5/2014)

2014 ◽  
Vol 24 (5) ◽  
pp. 566-566
Author(s):  
Martin W. G. Hoffmann ◽  
Joan Daniel Prades ◽  
Leonhard Mayrhofer ◽  
Francisco Hernandez-Ramirez ◽  
Tommi T. Järvi ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Molecular Orbitals ◽  
Frontier Molecular Orbitals ◽  
No2 Sensor ◽  
Charge Transfer Dynamics ◽  
Insight Into

Effect of Ligands on the Photoluminescence Performance of Ir(III) Complexes: A Theoretical Exploration

2013 ◽  
Vol 798-799 ◽  
pp. 219-222
Author(s):  
Jian Po Zhang ◽  
Li Jin ◽  
Xing Jin ◽  
Xiu Yun Sun ◽  
Fu Quan Bai
Keyword(s):  
Charge Transfer ◽  
Ground State ◽  
Electronic Structures ◽  
Spectroscopic Properties ◽  
Molecular Orbitals ◽  
Experimental Results ◽  
Frontier Molecular Orbitals ◽  
Bond Lengths ◽  
Td Dft

A series of iridium (III) complexes (C^N)2Ir (Pic) (C^N = Phi (1), Ppi (2), Mpfpi (3), and Cpfpi (4) have been investigated theoretically to explore their electronic structures and spectroscopic properties. The calculate bond lengths of Ir-N and Ir-O in the ground state agree well with the corresponding experimental results. At the TD-DFT and PCM levels, 1-4 give rise to absorptions at 359, 360, 348, and 335 nm and phosphorescent emissions at 454 , 469, 441, and 425 nm, respectively. The transitions of 1-4 are all attributed to {[d (Ir)+π (C^N)][π*(C^N) or π*(Pic)]} charge transfer. It is shown that the emissions are significantly dominated by the metal participating in the frontier molecular orbitals and affected by the C^N ligands.

scholarly journals Mutually exclusive hole and electron transfer coupling in cross stacked acenes

2021 ◽  
Author(s):  
Alfy Benny ◽  
Remya Ramakrishnan ◽  
Mahesh Hariharan
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Molecular Orbitals ◽  
Optoelectronic Property ◽  
Frontier Molecular Orbitals ◽  
Highly Sensitive

Topology of frontier molecular orbitals (FMOs) induce highly sensitive charge transfer coupling with variation in intermolecular arrangement. A consistent optoelectronic property correlated to a specific aggregate architecture independent of the...

Prediction of Antiglycation Activity by Calculating the Energies of Frontier Molecular Orbitals for New 4-Hydroxy-1,4-Dihydroazolo[5,1-c]-1,2,4-Triazines Used as an Example

2020 ◽  
Vol 46 (6) ◽  
pp. 1278-1284
Author(s):  
R. A. Litvinov ◽  
R. A. Drokin ◽  
D. D. Shamshina ◽  
M. Yu. Kalenova ◽  
L. E. Usmianova ◽  
...  
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

Deep insight into the charge transfer interactions in 1,2,4,5-tetracyanobenzene-phenazine cocrystal

2021 ◽  
Author(s):  
Hongnan Wu ◽  
Yajing Sun ◽  
Lingjie Sun ◽  
Liwei Wang ◽  
Xiaotao Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Deep Insight ◽  
Insight Into

Charge-Transfer Dynamics at Ag/Ni-MOF/Cu2O heterostructure in Photoelectrochemical NH3 production

2021 ◽  
Author(s):  
Ying Liu ◽  
Jianmin Lu ◽  
Qianxiao Zhang ◽  
Yajie Bai ◽  
Xuliang Pang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Transient Absorption Spectroscopy ◽  
Yield Rate ◽  
Ultrafast Transient Absorption ◽  
Charge Transfer Dynamics ◽  
Ultrafast Transient Absorption Spectroscopy

Decoration of Ag-ultrathin Ni-MOF onside Cu2O was firstly fabricated. The charge-transfer dynamics at heterostructure was in-depth revealed by ultrafast transient absorption spectroscopy. NH3 yield rate (4.63 μg h-1 cm-2) with...

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