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RISS 인기검색어
- 검색키워드
- 저자 : Adel Reisi‑Vanani (검색결과 3 건)
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Adel Reisi-Vanani,Marziyeh Safipoor 한국물리학회 2017 Current Applied Physics Vol.17 No.11
One of the important techniques to attract gaseous pollutant is placement of metals or their cations on carbon-based materials. In this study, Liþ ions were applied in order to promote adsorption of CO gas on sumanene bowl-shaped nanostructure. The results of theoretical calculations at MP2/6-311þG(d,p)// B3LYP/6-31G(d) level showed that the binding energy (BE) for chemisorption of Liþ ions on sumanene in convex faces is higher than concave one and decreases with the number of Liþ from one to three. It is observed that above Liþ ions or between them in bridge form at inner surface of Liþ-sumanene configurations are the most appropriate sites for CO trapping. The CO-Liþ-sumanene systems possessed the higher BE than CO-sumanene systems. Natural population analysis (NPA) and natural bond orbital (NBO) analysis obviously revealed that charge distribution in sumanene is affected by lithium ions and not by CO molecules. Besides, density of state (DOS) curves specified that the energy gap in Liþ-sumanene reduced considerably after CO attraction. Consequently, decorated sumanene by Liþ ions is appropriate sorbent for removal CO contaminant from environment.
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Theoretical design of Zn-dithiaporphyrins as sensitizer for dye-sensitized solar cells
Fatemeh Hajizadeh,Adel Reisi-Vanani,Yavar T. Azar 한국물리학회 2018 Current Applied Physics Vol.18 No.10
We have designed zinc dithiaporphyrin structures based on donor–π-acceptor (D-π-A) strategy and studied their optoelectronic properties as sensitizer for dye sensitized solar cells (DSSC) applications. The geometries, HOMOLUMO energy gap, electronic absorption spectra and light harvesting efficiency (LHE) of these sensitizers were investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Our results showed that LUMO energies of all dyes are above the conduction band (CB) of TiO2 and the HOMO energies of them are below the redox couple of I−/I3 −, thus new sensitizers have convenient HOMO and LUMO energy levels for electron transfer from the excited dye to TiO2 semiconductor and dye regeneration. They also have broadened and red-shifted absorption bands. Open-circuit voltage (Voc) and the short-circuit current density (Jsc) parameters including LHE, electron injection driving force (ΔGinject) and the free energy change for dye regeneration (ΔGregen) were calculated and discussed. The excited and ground state dipole moments were also calculated and their differences ( − ΔμEX GS) were discussed. Finally, results showed that thiophene and benzothiadiazole rings in comparison with phenyl ring as π-bridge and cyanoacrylic acid relative to the carboxylic acid as acceptor and anchoring groups showed better efficiency. A general comparison of our new sensitizers with reference dyes (YD2-o-C8 and SM315) showed that new sensitizers can be used for DSSC applications.
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Hamed Shahinfard,Mehdi Shabani‑Nooshabadi,Adel Reisi‑Vanani,Rozhin Darabi 한국탄소학회 2023 Carbon Letters Vol.33 No.5
In the present investigation, a new electrochemical sensor based on carbon paste electrode was applied to simultaneous determine the tramadol, olanzapine and acetaminophen for the first time. The CuO/reduced graphene nanoribbons (rGNR) nanocomposites and 1-ethyl 3-methyl imidazolinium chloride as ionic liquid (IL) were employed as modifiers. The electrooxidation of these drugs at the surface of the modified electrode was evaluated using cyclic voltammetry (CV), differential pulse voltammetry (DPV), electrochemical impedance spectroscopy (EIS) and chronoamperometry. Various techniques such as scanning electron microscopy (SEM) with energy dispersive X-Ray analysis (EDX), X-ray diffraction (XRD) and fourier-transform infrared spectroscopy (FTIR), were used to validate the structure of CuO-rGNR nanocomposites. This sensor displayed a superb electro catalytic oxidation activity and good sensitivity. Under optimized conditions, the results showed the linear in the concentration range of 0.08–900 μM and detection limit (LOD) was achieved to be 0.05 μM. The suggested technique was effectively used to the determination of tramadol in pharmaceuticals and human serum samples. For the first time, the present study demonstrated the synthesis and utilization of the porous nanocomposites to make a unique and sensitive electrode and ionic liquid for electrode modification to co-measurement of these drugs.
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