Impacts of Extending π-Conjugation of the 2,2′-Biquinoline Ligand on Photophysics and Reverse Saturable Absorption of the Heteroleptic Cationic Iridium(III) Complexes

Author(s):  
Taotao Lu ◽  
Cuifen Lu ◽  
Peng Cui ◽  
Svetlana Kilina ◽  
Wenfang Sun

Two heteroleptic monocationic Ir(III) complexes bearing 6,6′-bis(7-benzothiazolylfluoren-2-yl)-2,2′-biquinoline as the diimine ligand with different degrees of π-conjugation were synthesized and their photophysics were investigated by spectroscopic techniques and first principle calculations....

2020 ◽  
Vol 44 (2) ◽  
pp. 456-465 ◽  
Author(s):  
Li Wang ◽  
Peng Cui ◽  
Levi Lystrom ◽  
Jiapeng Lu ◽  
Svetlana Kilina ◽  
...  

Fluorenyl substitution at the diimine ligand broadened the excited-state absorption to near-IR, and enhanced reverse saturable absorption at 532 nm for the cationic Ir(iii) complexes.


Author(s):  
Muhammad Yar Khan ◽  
Yan Liu ◽  
Tao Wang ◽  
Hu Long ◽  
Miaogen Chen ◽  
...  

AbstractMonolayer MnCX3 metal–carbon trichalcogenides have been investigated by using the first-principle calculations. The compounds show half-metallic ferromagnetic characters. Our results reveal that their electronic and magnetic properties can be altered by applying uniaxial or biaxial strain. By tuning the strength of the external strain, the electronic bandgap and magnetic ordering of the compounds change and result in a phase transition from the half-metallic to the semiconducting phase. Furthermore, the vibrational and thermodynamic stability of the two-dimensional structure has been verified by calculating the phonon dispersion and molecular dynamics. Our study paves guidance for the potential applications of these two mono-layers in the future for spintronics and straintronics devices.


Nanomaterials ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 737
Author(s):  
Yasin Orooji ◽  
Hamed Ghanbari Gol ◽  
Babak Jaleh ◽  
Mohammad Reza Rashidian Vaziri ◽  
Mahtab Eslamipanah

Carbon nanoparticles (CNPs) with high porosity and great optical features can be used as a luminescent material. One year later, the same group investigated the NLO properties CNPs and boron-doped CNPs by 532 nm and 1064 nm laser excitations to uncover the underlying physical mechanisms in their NLO response. Hence, a facile approach, laser ablation technique, was employed for carbon nanoparticles (CNPs) synthesis from suspended activated carbon (AC). Morphological properties of the prepared CNPs were studied by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). UV-Vis and fluorescence (FL) spectra were used to optical properties investigation of CNPs. The size distribution of nanoparticles was evaluated using dynamic light scattering (DLS). The nonlinear optical (NLO) coefficients of the synthesized CNPs were determined by the Z-scan method. As a result, strong reverse saturable absorption and self-defocusing effects were observed at the excitation wavelength of 442 nm laser irradiation. These effects were ascribed to the presence of delocalized π-electrons in AC CNPs. To the best of our knowledge, this is the first study investigating the NLO properties of the AC CNPs.


Membranes ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 67
Author(s):  
Asuka Suzuki ◽  
Hiroshi Yukawa

Vanadium (V) has higher hydrogen permeability than Pd-based alloy membranes but exhibits poor resistance to hydrogen-induced embrittlement. The alloy elements are added to reduce hydrogen solubility and prevent hydrogen-induced embrittlement. To enhance hydrogen permeability, the alloy elements which improve hydrogen diffusivity in V are more suitable. In the present study, hydrogen diffusivity in V-Cr, V-Al, and V-Pd alloy membranes was investigated in view of the hydrogen chemical potential and compared with the previously reported results of V-Fe alloy membranes. The additions of Cr and Fe to V improved the mobility of hydrogen atoms. In contrast, those of Al and Pd decreased hydrogen diffusivity. The first principle calculations revealed that the hydrogen atoms cannot occupy the first-nearest neighbor T sites (T1 sites) of Al and Pd in the V crystal lattice. These blocking effects will be a dominant contributor to decreasing hydrogen diffusivity by the additions of Al and Pd. For V-based alloy membranes, Fe and Cr are more suitable alloy elements compared with Al and Pd in view of hydrogen diffusivity.


2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Durga Sankar Vavilapalli ◽  
Ambrose A. Melvin ◽  
F. Bellarmine ◽  
Ramanjaneyulu Mannam ◽  
Srihari Velaga ◽  
...  

AbstractIdeal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified via X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The lattice parameter (a) and corresponding molar volume (Vm) of Bi12FeO20 have been measured in the temperature range of 30–700 °C by the X-ray diffraction method. The thermal expansion coefficient (α) 3.93 × 10–5 K−1 was calculated from the measured values of the parameters. Electronic structure and density of states are investigated by first principle calculations. Photoelectrochemical measurements on single crystals with bandgap of 2 eV reveal significant photo response. The photoactivity of as grown crystals were further investigated by degrading organic effluents such as Methylene blue (MB) and Congo red (CR) under natural sunlight. BFO showed photodegradation efficiency about 74.23% and 32.10% for degrading MB and CR respectively. Interesting morphology and microstructure of pointed spearhead like BFO crystals provide a new insight in designing and synthesizing multifunctional single crystals.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Durga Sankar Vavilapalli ◽  
Ambrose A. Melvin ◽  
F. Bellarmine ◽  
Ramanjaneyulu Mannam ◽  
Srihari Velaga ◽  
...  

An amendment to this paper has been published and can be accessed via a link at the top of the paper.


RSC Advances ◽  
2020 ◽  
Vol 10 (72) ◽  
pp. 44373-44381
Author(s):  
Xiaozhe Wang ◽  
Qi Wang ◽  
Zhijun Chai ◽  
Wenzhi Wu

The thermal properties of FAPbBr3 perovskite nanocrystals (PNCs) is investigated by use of temperature-dependent steady-state/time-resolved photoluminescence and first-principle calculations.


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