scholarly journals Band-Gap Energies of Choline Chloride and Triphenylmethylphosphoniumbromide-Based Systems

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1495 ◽  
Author(s):  
Alberto Mannu ◽  
Maria Enrica Di Pietro ◽  
Andrea Mele
Keyword(s):  
Hydrogen Bond ◽  
Ethylene Glycol ◽  
Band Gap ◽  
Lewis Acids ◽  
Choline Chloride ◽  
Band Gap Energy ◽  
Hydrogen Bond Acceptor ◽  
Gap Energy ◽  
Tauc Plot ◽  
Vis Spectroscopy

UV–VIS spectroscopy analysis of six mixtures containing choline chloride or triphenylmethylphosphonium bromide as the hydrogen bond acceptor (HBA) and different hydrogen bond donors (HBDs, nickel sulphate, imidazole, d-glucose, ethylene glycol, and glycerol) allowed to determine the indirect and direct band-gap energies through the Tauc plot method. Band-gap energies were compared to those relative to known choline chloride-containing deep band-gap systems. The measurements reported here confirmed the tendency of alcohols or Lewis acids to increment band-gap energy when employed as HBDs. Indirect band-gap energy of 3.74 eV was obtained in the case of the triphenylmethylphosphonium bromide/ethylene glycol system, which represents the smallest transition energy ever reported to date for such kind of systems.

scholarly journals Behavior of Ternary Mixtures of Hydrogen Bond Acceptors and Donors in Terms of Band Gap Energies

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3418
Author(s):  
Alberto Mannu ◽  
Francesca Cardano ◽  
Salvatore Baldino ◽  
Andrea Fin
Keyword(s):  
Hydrogen Bond ◽  
Band Gap ◽  
Choline Chloride ◽  
Band Gap Energy ◽  
Ternary Mixtures ◽  
Hydrogen Bond Donor ◽  
Multivariate Statistical ◽  
Gap Energy ◽  
Tauc Plot ◽  
Simple Lattice

Three ternary mixtures composed by choline chloride (ChCl), ethylene glycol (EG), and a second hydrogen bond donor (HBD) as ethanol (A), 2-propanol (B), and glycerol (C) were studied in terms of composition related to the band gap energy (BGE). A Design of Experiments (DoE) approach, and in particular a Simple Lattice three-components design, was employed for determining the variation of the BGE upon the composition of each system. UV-VIS analysis and subsequent Tauc plot methodology provided the data requested from the DoE, and multivariate statistical analysis revealed a drop of the BGE in correspondence to specific binary compositions for systems A and B. In particular, a BGE of 3.85 eV was registered for the mixtures ChCl/EtOH (1:1) and ChCl/2-propanol (1:1), which represents one of the lowest values ever observed for these systems.

scholarly journals Behaviour of Ternary Mixtures of Hydrogen Bond Acceptors and Donors in Terms of Band Gap Energies

2021 ◽  
Author(s):  
Alberto Mannu ◽  
Francesca Cardano ◽  
Salvatore Baldino ◽  
Andrea Fin
Keyword(s):  
Hydrogen Bond ◽  
Band Gap ◽  
Choline Chloride ◽  
Band Gap Energy ◽  
Ternary Mixtures ◽  
Hydrogen Bond Donor ◽  
Multivariate Statistical ◽  
Gap Energy ◽  
Tauc Plot ◽  
Simple Lattice

Three ternary mixtures composed by choline chloride (ChCl), ethylene glycol (EG) and a second hydrogen bond donor (HBD) as ethanol (A), 2-propanol (B), and glycerol (C) were studied in terms of composition related to the band gap energy (BGE). A Design of Experiments (DoE) approach, and in particular a Simple Lattice three-components design, was employed for determining the variation of the BGE upon the composition of each system. UV-VIS analysis and subsequent Tauc plot methodology provided the data requested from the DoE and multivariate statistical analysis revealed a drop of the BGE in correspondence to specific binary compositions for systems A and B. In particular, a BGE of 3.85 eV was registered for the mixtures ChCl/EtOH (1:1), and ChCl/2-propanol (1:1), which represents one of the lowest values ever observed for these systems.

Modification of optical properties of PC-PBT/Cr2O3 and PC-PBT/CdS nanocomposites by gamma irradiation

2020 ◽  
Vol 92 (2) ◽  
pp. 20402
Author(s):  
Kaoutar Benthami ◽  
Mai ME. Barakat ◽  
Samir A. Nouh
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Band Gap ◽  
Color Difference ◽  
Band Gap Energy ◽  
Polybutylene Terephthalate ◽  
Γ Irradiation ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Oxygen Atoms

Nanocomposite (NCP) films of polycarbonate-polybutylene terephthalate (PC-PBT) blend as a host material to Cr2O3 and CdS nanoparticles (NPs) were fabricated by both thermolysis and casting techniques. Samples from the PC-PBT/Cr2O3 and PC-PBT/CdS NCPs were irradiated using different doses (20–110 kGy) of γ radiation. The induced modifications in the optical properties of the γ irradiated NCPs have been studied as a function of γ dose using UV Vis spectroscopy and CIE color difference method. Optical dielectric loss and Tauc's model were used to estimate the optical band gaps of the NCP films and to identify the types of electronic transition. The value of optical band gap energy of PC-PBT/Cr2O3 NCP was reduced from 3.23 to 3.06 upon γ irradiation up to 110 kGy, while it decreased from 4.26 to 4.14 eV for PC-PBT/CdS NCP, indicating the growth of disordered phase in both NCPs. This was accompanied by a rise in the refractive index for both the PC-PBT/Cr2O3 and PC-PBT/CdS NCP films, leading to an enhancement in their isotropic nature. The Cr2O3 NPs were found to be more effective in changing the band gap energy and refractive index due to the presence of excess oxygen atoms that help with the oxygen atoms of the carbonyl group in increasing the chance of covalent bonds formation between the NPs and the PC-PBT blend. Moreover, the color intensity, ΔE has been computed; results show that both the two synthesized NCPs have a response to color alteration by γ irradiation, but the PC-PBT/Cr2O3 has a more response since the values of ΔE achieved a significant color difference >5 which is an acceptable match in commercial reproduction on printing presses. According to the resulting enhancement in the optical characteristics of the developed NCPs, they can be a suitable candidate as activate materials in optoelectronic devices, or shielding sheets for solar cells.

Dressing of Mwcnts with TiO2 Nanoparticles Using Modified Microwave Method

2011 ◽  
Vol 364 ◽  
pp. 228-231 ◽  
Author(s):  
Mohammad Hafizuddin Haji Jumali ◽  
K. Mohamad Al Asfoor Firas ◽  
Shahidan Radiman ◽  
Akrajas Ali Umar
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Absorption Spectra ◽  
Band Gap Energy ◽  
Microwave Method ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Significant Change ◽  
Strong Attachment ◽  
Absorption Wavelength

Optical properties of TiO2 dressed on the surface of MWCNTs have been investigated. The samples were prepared using modified microwave method and characterized using TEM, XRD and UV-Vis spectroscopy. A clear interface between MWCNT and TiO2 indicated strong attachment between these two nanostructures. Significant change in absorption spectra proved the absorption wavelength and band gap energy of TiO2 nanostructures can be controlled via dressing of MWCNT.

The Role of Acid Concentration on Band Gap Shrinkage in Cellulose Nanocrystals Fabricated from Water Hyacinth

2022 ◽  
pp. 1-3
Author(s):  
Jack A Adem ◽  
◽  
John O Agumba ◽  
Godfrey O Barasa ◽  
Angeline A Ochung ◽  
...  
Keyword(s):  
Band Gap ◽  
Acid Concentration ◽  
Cellulose Nanocrystals ◽  
Optical Band Gap ◽  
Impurity Band ◽  
Band Gap Energy ◽  
Phase Identification ◽  
Hydrolysis Time ◽  
Gap Energy ◽  
Vis Spectroscopy

In this study, the fingerprint of the acid concentration during the hydrolysis process on the optical band gap of cellulose nanocrystals (CNCs) has been systematically studied. The CNCs have been prepared using hydrochloric acid at a hydrolysis temperature of 50°C and at a constant hydrolysis time of 4 hours but with varying hydrochloric cid concentrations of 5%, 10% and 15%. The crystalline structure and phase identification of the CNCs have been studied using XRD technique. UV-Vis Spectroscopy has been done and the optical band gap energy calculated by performing the Tauc’s plot. From the study, the grain size has been found to decrease with acid concentration while the band gap energy has been found to increase with increasing acid concentration. Further, the optical band gaps of the CNCs have been found to decrease with the increase in crystallite size. This shrinkage of the band gap has been attributed to the increased impurity concentration leading to the narrowing of the band gap due to the emerging of the impurity band formed by the overlapped impurity states

scholarly journals Ternary liquid–liquid equilibrium data for n-Hexane-Benzene-DES (choline chloride/ethylene glycol, choline chloride/glycerol, choline chloride/urea) at 303 K and 101.3 kPa

2020 ◽  
Vol 10 (3) ◽  
pp. 125-137
Author(s):  
Mohammed Awwalu Usman ◽  
Olumide Kayode Fagoroye ◽  
Toluwalase Olufunmilayo Ajayi ◽  
Abiola John Kehinde
Keyword(s):  
Hydrogen Bond ◽  
Ethylene Glycol ◽  
Choline Chloride ◽  
Ternary Systems ◽  
Deep Eutectic Solvents ◽  
Binary Interaction ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Separation Factors ◽  
Lle Data

Abstract In this study, deep eutectic solvents (DESs) were prepared using choline chloride as hydrogen bond acceptor (HBA) and ethylene glycol (EG) or glycerol (GLY) or urea (U) as hydrogen bond donor (HBD) and were evaluated as solvents in the extraction of benzene from n-hexane. Six of such solvents were prepared using different molar ratios of HBA: HBD and code named DES1, DES2, DES3, DES4, DES5 and DES6. Liquid–liquid equilibria (LLE) data for the ternary systems of n-hexane-benzene-DESs were measured at 303 K and 101.3 kPa. Solubility data and mutual solubilities between n-hexane and DES were measured using the traditional cloud point method. The tie lines were obtained using titration and refractive index measurements on both phases (n-hexane phase and DES-phases). The ternary systems exhibit type-1 phase behavior. The Othmer-Tobias and Hands equations were applied to examine the reliability of the LLE data. The tie-line data were correlated using the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) thermodynamic models, and their corresponding binary interaction parameters were determined. The results show that the maximum separation factors were 31.24, 462.00, 15.24, 37.83, 174.60 and 126.00 for DES1, DES2, DES3, DES4, DES5 and DES6, respectively. The glycerol based DES (DES2 and DES5) show the highest separation factors and thus considered the most suitable for separating benzene from hexane. The regression coefficient for both Othmer-Tobias and Hand equations are higher than 0.99 for all DESs, indicating the reliability and consistency of the data. Both NRTL and UNIQUAC models adequately capture the experimental data.

scholarly journals Synthesis of Nanostructured Cobalt Oxides using Cobalt(II) Fumarate Hydrate as Metal-Organic Precursor

2020 ◽  
Vol 32 (12) ◽  
pp. 3144-3150
Author(s):  
M. Gogoi ◽  
B.K. Das
Keyword(s):  
Polyethylene Glycol ◽  
Ethylene Glycol ◽  
Band Gap Energy ◽  
Cobalt Oxides ◽  
Particle Sizes ◽  
Tem Analysis ◽  
Organic Precursor ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Metal Organic

A series of nanostructured cobalt oxides have been prepared from a metal-organic precursor viz. [Co(fum)(H2O)4]·H2O (fum = fumarate) by using capping agents, ethylene glycol and polyethylene glycol via thermal and solvothermal decomposition in ethanol and also by doping with RuCl3·xH2O via solvothermal route. The nano oxides were characterized by IR, UV-vis spectroscopy, powder XRD, SEM and TEM analysis. The nano oxides exhibit varied morphologies and particle sizes. The TEM images reveal homogeneously distributed particles for all the oxides. The band gap energy values the Ru-doped cobalt oxide was found to be lower than the generally accepted values.

Optical Properties of Undoped and Dy3+-Doped Boro-Tellurite Glass

2014 ◽  
Vol 895 ◽  
pp. 194-199 ◽  
Author(s):  
Atiqah Ab Rasid ◽  
Husin Wagiran ◽  
Suhairul Hashim ◽  
Rosli Hussin ◽  
Zuhairi Ibrahim
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Tellurite Glass ◽  
Optical Band Gap ◽  
Band Gap Energy ◽  
Excitation Wavelength ◽  
Absorption Bands ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Doped Glasses

A series of undoped and Dy3+-doped boro-tellurite glasses were prepared, and their optical properties have been studied through XRD, absorption, optical band gap energy and photoluminescence. The XRD pattern has been used to confirm the amorphous nature of the prepared glass. The optical absorption spectra showed eight absorption bands which corresponded to 4I15/2, 4F9/2, 6F3/2, 6F5/2, 6F7/2, 6F9/2, 6F11/2 and 6H11/2 transitions from the ground state, 6H15/2. The optical band gap energy, Eopt for undoped glass was 3.08 eV and the Dy3+-doped glasses Eopt values varied from 3.16 3.24 eV. The emission spectra from photoluminescence spectroscopy showed two dominant emission peaks at 483 nm and 574 nm with an excitation wavelength of 325 nm (3.82 eV). Keywords: X-ray diffraction, boro-tellurite glass, photoluminescence, absorption spectrum, UV-Vis spectroscopy, energy band gap.

scholarly journals Carbon Capture from Biogas by Deep Eutectic Solvents: A COSMO Study to Evaluate the Effect of Impurities on Solubility and Selectivity

2021 ◽  
Vol 3 (2) ◽  
pp. 490-502
Author(s):  
Thomas Quaid ◽  
M. Toufiq Reza
Keyword(s):  
Hydrogen Bond ◽  
Ethylene Glycol ◽  
Ammonium Chloride ◽  
Carbon Capture ◽  
Infinite Dilution ◽  
Choline Chloride ◽  
Deep Eutectic Solvents ◽  
Decanoic Acid ◽  
Co2 Solubility ◽  
Hydrogen Bond Acceptor

Deep eutectic solvents (DES) are compounds of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that contain a depressed melting point compared to their individual constituents. DES have been studied for their use as carbon capture media and biogas upgrading. However, contaminants’ presence in biogas might affect the carbon capture by DES. In this study, conductor-like screening model for real solvents (COSMO-RS) was used to determine the effect of temperature, pressure, and selective contaminants on five DES’ namely, choline chloride-urea, choline chloride-ethylene glycol, tetra butyl ammonium chloride-ethylene glycol, tetra butyl ammonium bromide-decanoic acid, and tetra octyl ammonium chloride-decanoic acid. Impurities studied in this paper are hydrogen sulfide, ammonia, water, nitrogen, octamethyltrisiloxane, and decamethylcyclopentasiloxane. At infinite dilution, CO2 solubility dependence upon temperature in each DES was examined by means of Henry’s Law constants. Next, the systems were modeled from infinite dilution to equilibrium using the modified Raoults’ Law, where CO2 solubility dependence upon pressure was examined. Finally, solubility of CO2 and CH4 in the various DES were explored with the presence of varying mole percent of selective contaminants. Among the parameters studied, it was found that the HBD of the solvent is the most determinant factor for the effectiveness of CO2 solubility. Other factors affecting the solubility are alkyl chain length of the HBA, the associated halogen, and the resulting polarity of the DES. It was also found that choline chloride-urea is the most selective to CO2, but has the lowest CO2 solubility, and is the most polar among other solvents. On the other hand, tetraoctylammonium chloride-decanoic acid is the least selective, has the highest maximum CO2 solubility, is the least polar, and is the least affected by its environment.

scholarly journals Synthesis and Characterization of MgO Doped ZnO Nanorods Prepared by Solution Immersion Method and their Effect on Energy Band Gap

2019 ◽  
Vol 7 (4.14) ◽  
pp. 186
Author(s):  
Z Khusaimi ◽  
N A.M. Asib ◽  
S Z. Umbaidilah ◽  
A N. Afaah ◽  
C N.E. Syafika ◽  
...  
Keyword(s):  
Aspect Ratio ◽  
Band Gap ◽  
Zno Nanorods ◽  
Annealing Treatment ◽  
Band Gap Energy ◽  
Powder Form ◽  
Immersion Method ◽  
Gap Energy ◽  
Tauc Plot ◽  
Doped Zno

In this research, solid powder form ZnO and MgO-doped ZnO were prepared by using solution immersion method. Mg divalent cation with different atomic percentage of 0.5%, 1.0% and 1.5% were added in 0.04 M of Zn2+ solution containing zinc nitrate hexahydrates as precursor and hexamethylene tetraamine as stabilizer. Annealing treatment was consequently carried out to transform the precursors into oxide forms. ZnO and MgO-doped ZnO were successfully obtained and the surface morphology, crystallite size and elemental composition were studied using Field Emission Scanning Electron Microscope (FESEM) and Energy dispersive X-Ray (EDX) respectively. The band gap energy was determined using Ultraviolet-Visible spectrophotometer (UV-Vis). FESEM images showed that the powder form of ZnO and MgO-doped ZnO consist of rod-like shape. A 0.5% of MgO-doped ZnO sample has smallest size of rods with higher aspect ratio compared to others. The EDX result revealed that the sample composed of Zn, O and Mg in the sample. The band gap energy for all samples was determined using Tauc plot and it was found that the band gap energy is reduced with 1.0 and 1.5 % doping while increased at 0.5% doping. The band gap energy was found to range between 3.23 eV to 3.26 eV. The 0.5% of Mg-doped ZnO with higher aspect ratio shows the highest band gap energy value.  

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