Pub Date : 2025-02-24DOI: 10.1016/j.cinorg.2025.100098
Koustav Ganguly , Priyambada Mahapatra , Chirasmayee Mohanty , Chaitali Das , Alaka Samal , Ranjan Kumar Sahu , Nigamananda Das
The magnetic Strontium hexaferrite nanoparticles (SrFe12O19) decorated with Silver (Ag) catalyst were designed to degrade Rhodamine B and Congo Red dyes, as well as to explore their antibacterial activity against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli. These nanoparticles were synthesized using a microwave-assisted combustion method, resulting in a series of Ag-decorated SrFe12O19 Nanoparticles. Characterization through PXRD, UV–visible DRS, Raman spectroscopy, and FE-SEM/TEM confirmed the formation of M-type hexagonal SrFe12O19 with uniformly distributed Ag NPs. The addition of Ag influenced the magnetic and optical properties of the SrFe12O19, with a slight decrease in optical band gaps and a reduction in saturation magnetization from 84 to 71 emu/g as Ag content increased to 10 wt%. Although the Ag decoration did not enhance the photocatalytic activity of SrFe12O19 for dye degradation under visible light, the photocatalysts were magnetically separable and reusable without significant efficiency loss. Moreover, the heterojunction exhibited a disinfection capacity that was five times quicker than the individual catalysts, highlighting its potential for environmental and antibacterial applications.
{"title":"Multifunctional silver-doped strontium hexaferrite nanoparticles: Magnetic, optical, photocatalytic, and antimicrobial properties","authors":"Koustav Ganguly , Priyambada Mahapatra , Chirasmayee Mohanty , Chaitali Das , Alaka Samal , Ranjan Kumar Sahu , Nigamananda Das","doi":"10.1016/j.cinorg.2025.100098","DOIUrl":"10.1016/j.cinorg.2025.100098","url":null,"abstract":"<div><div>The magnetic Strontium hexaferrite nanoparticles (SrFe<sub>12</sub>O<sub>19</sub>) decorated with Silver (Ag) catalyst were designed to degrade Rhodamine B and Congo Red dyes, as well as to explore their antibacterial activity against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli. These nanoparticles were synthesized using a microwave-assisted combustion method, resulting in a series of Ag-decorated SrFe<sub>12</sub>O<sub>19</sub> Nanoparticles. Characterization through PXRD, UV–visible DRS, Raman spectroscopy, and FE-SEM/TEM confirmed the formation of M-type hexagonal SrFe<sub>12</sub>O<sub>19</sub> with uniformly distributed Ag NPs. The addition of Ag influenced the magnetic and optical properties of the SrFe<sub>12</sub>O<sub>19</sub>, with a slight decrease in optical band gaps and a reduction in saturation magnetization from 84 to 71 emu/g as Ag content increased to 10 wt%. Although the Ag decoration did not enhance the photocatalytic activity of SrFe<sub>12</sub>O<sub>19</sub> for dye degradation under visible light, the photocatalysts were magnetically separable and reusable without significant efficiency loss. Moreover, the heterojunction exhibited a disinfection capacity that was five times quicker than the individual catalysts, highlighting its potential for environmental and antibacterial applications.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100098"},"PeriodicalIF":0.0,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143550466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the present work, we have reported the nickel oxide (NiO)-graphene oxide (GO) composite thin films on flexible indium tin oxide-coated poly-ethyleneterephthalate (ITO PET) substrates by a simple solution processing approach (spin coating method). The dispersion of GO nanostructures (synthesized by the modified Hummers' method) was introduced in the NiO (synthesized by the hydrothermal method) dispersion solution in different volume ratios of 1:0, 1:0.2, 1:0.5, and 1:1; and the corresponding thin films were named as NG 0, NG 2, NG 5, and NG 10, respectively. The zeta potential study reveals the moderate stability of the prepared dispersions, and the hydrodynamic diameter increases with GO inclusion in NiO dispersion. The variation of GO concentrations on the structural, morphological, optical, and electrical properties of thin films was investigated. Powder X-ray diffraction (PXRD) results reveal the crystalline structure of thin films. The morphology of the films was investigated by field emission scanning electron microscopy (FESEM), which shows the more ordered and porous hexagonal network obtained for composite films. The UV-VIS-NIR study reveals the optical properties of thin films. The optical absorption increases in the visible region with an increase in GO concentrations in composite films, and a decrease in band gap from 3.88 eV to 3.50 eV was observed for NG 2 to NG 10 thin films. The presence of Ni–O stretching and CC stretching, as well as carbon bonding with oxygen functionalities, were also confirmed by Fourier Transform Infrared (FTIR) spectroscopy. The current-voltage characteristics were measured, and the corresponding resistance of the thin films was obtained in the range of MΩ. The experimental result demonstrates the decrease in resistivity and increase in current for both forward and reverse bias ranges with the incorporation of GO in NiO thin films. The obtained results highlight the possibility of using these composite thin films for achieving good performance and suitability for flexible optoelectronic applications.
{"title":"Enhanced optical and electrical properties of NiO-GO composite thin films on flexible PET substrates for optoelectronic applications","authors":"Bandhna Verma , Ashish Kumar , H.C. Swart , Vinay Kumar","doi":"10.1016/j.cinorg.2025.100097","DOIUrl":"10.1016/j.cinorg.2025.100097","url":null,"abstract":"<div><div>In the present work, we have reported the nickel oxide (NiO)-graphene oxide (GO) composite thin films on flexible indium tin oxide-coated poly-ethyleneterephthalate (ITO PET) substrates by a simple solution processing approach (spin coating method). The dispersion of GO nanostructures (synthesized by the modified Hummers' method) was introduced in the NiO (synthesized by the hydrothermal method) dispersion solution in different volume ratios of 1:0, 1:0.2, 1:0.5, and 1:1; and the corresponding thin films were named as NG 0, NG 2, NG 5, and NG 10, respectively. The zeta potential study reveals the moderate stability of the prepared dispersions, and the hydrodynamic diameter increases with GO inclusion in NiO dispersion. The variation of GO concentrations on the structural, morphological, optical, and electrical properties of thin films was investigated. Powder X-ray diffraction (PXRD) results reveal the crystalline structure of thin films. The morphology of the films was investigated by field emission scanning electron microscopy (FESEM), which shows the more ordered and porous hexagonal network obtained for composite films. The UV-VIS-NIR study reveals the optical properties of thin films. The optical absorption increases in the visible region with an increase in GO concentrations in composite films, and a decrease in band gap from 3.88 eV to 3.50 eV was observed for NG 2 to NG 10 thin films. The presence of Ni–O stretching and C<img>C stretching, as well as carbon bonding with oxygen functionalities, were also confirmed by Fourier Transform Infrared (FTIR) spectroscopy. The current-voltage characteristics were measured, and the corresponding resistance of the thin films was obtained in the range of MΩ. The experimental result demonstrates the decrease in resistivity and increase in current for both forward and reverse bias ranges with the incorporation of GO in NiO thin films. The obtained results highlight the possibility of using these composite thin films for achieving good performance and suitability for flexible optoelectronic applications.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100097"},"PeriodicalIF":0.0,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143510190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-16DOI: 10.1016/j.cinorg.2025.100095
Nurhidayu Harudin , Zurina Osman , Mohd Zieauddin Kufian , Izlina Supa'at , Norazlin Zainal , Markus Diantoro , Herlin Pujiarti
Mg batteries are one of several new battery technologies that have a potential to replace lithium-based batteries in the future due to its advantages such as low cost, environmentally friendly and improved safety. However, the development of Mg batteries has been greatly hindered by the sluggish Mg ions migration kinetics in the solid state. In this work, self-propagating combustion was used to produce Ca-doped MgMn2O4 based cathode materials with two distinct Ca compositions: MgMn2-xCaxO4 (x = 0.1, 0.2, 0.3) and MgMn2-yCayO4 (y = 0.01, 0.02, 0.03) at annealing temperature of 800 °C. The structural properties have been characterized by X-ray Diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM). The elemental distribution was determined using Energy Dispersive X-ray (EDX) spectroscopy. The electrochemical performances were also been evaluated by linear sweep voltammetry (LSV), and cyclic voltammetry (CV). The galvanostatic charge/discharge of Mg ion cells using 1 M of magnesium trifluoromethanesulfonate (Mg (CF3SO3)2) in 1:1 volume of ethylene carbonate (EC) and 1,2-dimethoxyethane (DME) has been performed. The charge-discharge results demonstrated the cathode with a low Ca composition, MgMn1.97Ca0.03O4, had delivered the highest capacity of 144 mAh g−1.
{"title":"Characteristics of Mg-based cathode materials with different doping element concentrations","authors":"Nurhidayu Harudin , Zurina Osman , Mohd Zieauddin Kufian , Izlina Supa'at , Norazlin Zainal , Markus Diantoro , Herlin Pujiarti","doi":"10.1016/j.cinorg.2025.100095","DOIUrl":"10.1016/j.cinorg.2025.100095","url":null,"abstract":"<div><div>Mg batteries are one of several new battery technologies that have a potential to replace lithium-based batteries in the future due to its advantages such as low cost, environmentally friendly and improved safety. However, the development of Mg batteries has been greatly hindered by the sluggish Mg ions migration kinetics in the solid state. In this work, self-propagating combustion was used to produce Ca-doped MgMn<sub>2</sub>O<sub>4</sub> based cathode materials with two distinct Ca compositions: MgMn<sub>2-x</sub>Ca<sub>x</sub>O<sub>4</sub> (x = 0.1, 0.2, 0.3) and MgMn<sub>2-y</sub>Ca<sub>y</sub>O<sub>4</sub> (y = 0.01, 0.02, 0.03) at annealing temperature of 800 °C. The structural properties have been characterized by X-ray Diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM). The elemental distribution was determined using Energy Dispersive X-ray (EDX) spectroscopy. The electrochemical performances were also been evaluated by linear sweep voltammetry (LSV), and cyclic voltammetry (CV). The galvanostatic charge/discharge of Mg ion cells using 1 M of magnesium trifluoromethanesulfonate (Mg (CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>) in 1:1 volume of ethylene carbonate (EC) and 1,2-dimethoxyethane (DME) has been performed. The charge-discharge results demonstrated the cathode with a low Ca composition, MgMn<sub>1.97</sub>Ca<sub>0.03</sub>O<sub>4</sub>, had delivered the highest capacity of 144 mAh g<sup>−1</sup>.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100095"},"PeriodicalIF":0.0,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-05DOI: 10.1016/j.cinorg.2025.100089
Sayam Bhattacharyya , Sk Aakash Hossain , Sampad Sarkar , Papita Das
The present work highlights the comparative analysis between Mg doped CuFeO2 (named as Mg-CFO) and TiO2/CuFeO2 composite (named as TiO2-CFO) for the photodegradation of TZ dye in aqueous solution. Physicochemical tests like XRD, FTIR, FESEM, EDX was done for both the composites. The pHpzc values of Mg-CFO and TiO2-CFO were determined to be 9.34 and 9.0 respectively for which both photocatalysts gave good removal efficiency of anionic TZ in an acidic or lower pH region. Mg-CFO degraded 87 % of 20 mg L−1 of TZ in 100 mL of solution at 50 mg dosage, under pH∼2, at 130 rpm and 30 °C temperature showing a rate constant of 0.00602 min−1 and TiO2-CFO degraded 91 % of TZ dye under the same conditions showing a rate constant of 0.00637 min−1. The quenching test showed that both photocatalysts had generated O2°- radicals as the primary species and OH° as the secondary species. In general, TiO2-CFO composite was proved to be a comparatively better photocatalyst than Mg-CFO sample.
{"title":"Comparative study on photocatalytic efficiency of Mg doped CuFeO2 versus TiO2 doped CuFeO2 delafossite based on their application for the removal of tartrazine yellow dye","authors":"Sayam Bhattacharyya , Sk Aakash Hossain , Sampad Sarkar , Papita Das","doi":"10.1016/j.cinorg.2025.100089","DOIUrl":"10.1016/j.cinorg.2025.100089","url":null,"abstract":"<div><div>The present work highlights the comparative analysis between Mg doped CuFeO<sub>2</sub> (named as Mg-CFO) and TiO<sub>2</sub>/CuFeO<sub>2</sub> composite (named as TiO<sub>2</sub>-CFO) for the photodegradation of TZ dye in aqueous solution. Physicochemical tests like XRD, FTIR, FESEM, EDX was done for both the composites. The pH<sub>pzc</sub> values of Mg-CFO and TiO<sub>2</sub>-CFO were determined to be 9.34 and 9.0 respectively for which both photocatalysts gave good removal efficiency of anionic TZ in an acidic or lower pH region. Mg-CFO degraded 87 % of 20 mg L<sup>−1</sup> of TZ in 100 mL of solution at 50 mg dosage, under pH∼2, at 130 rpm and 30 °C temperature showing a rate constant of 0.00602 min<sup>−1</sup> and TiO<sub>2</sub>-CFO degraded 91 % of TZ dye under the same conditions showing a rate constant of 0.00637 min<sup>−1</sup>. The quenching test showed that both photocatalysts had generated O<sub>2</sub><sup>°-</sup> radicals as the primary species and OH<sup>°</sup> as the secondary species. In general, TiO<sub>2</sub>-CFO composite was proved to be a comparatively better photocatalyst than Mg-CFO sample.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100089"},"PeriodicalIF":0.0,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143379456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-05DOI: 10.1016/j.cinorg.2025.100093
Abhishek Bag , Gobinda Chandra De , Shampa Bhattacharyya , Bikash Bepari , Himadri Sekhar Das , Sateesh Bandaru , Gourisankar Roymahapatra
The hydrogen economy has become increasingly important in the global fuel landscape due to the rapid depletion of fossil fuels. Many transition metal-based metal-organic frameworks have been explored for hydrogen (H₂) storage, but finding an optimal solution remains challenging. This study employs Density Functional Theory (DFT) with various functionals and basis sets to examine Ag(I)-decorated isomeric triazines (123, 124, and 135 N-positions) as potential H₂ storage materials. We thoroughly investigate the effects of temperature, adsorption energy, and gravimetric capacity for these systems. The simulation results reveal that the isomeric triazine systems, when decorated with metal and loaded with H₂, exhibit gravimetric weight percentages between 5.08 wt% and 6.39 wt%. Analysis of average adsorption energy, Gibbs free energy change, and other DFT parameters indicates that H₂ molecules are effectively adsorbed on these systems. This research provides valuable insights for the development of stable and high-capacity H₂ storage solutions.
{"title":"Ag(I) decorated isomeric triazine complexes as efficient hydrogen storage materials - A theoretical investigation","authors":"Abhishek Bag , Gobinda Chandra De , Shampa Bhattacharyya , Bikash Bepari , Himadri Sekhar Das , Sateesh Bandaru , Gourisankar Roymahapatra","doi":"10.1016/j.cinorg.2025.100093","DOIUrl":"10.1016/j.cinorg.2025.100093","url":null,"abstract":"<div><div>The hydrogen economy has become increasingly important in the global fuel landscape due to the rapid depletion of fossil fuels. Many transition metal-based metal-organic frameworks have been explored for hydrogen (H₂) storage, but finding an optimal solution remains challenging. This study employs Density Functional Theory (DFT) with various functionals and basis sets to examine Ag(I)-decorated isomeric triazines (123, 124, and 135 N-positions) as potential H₂ storage materials. We thoroughly investigate the effects of temperature, adsorption energy, and gravimetric capacity for these systems. The simulation results reveal that the isomeric triazine systems, when decorated with metal and loaded with H₂, exhibit gravimetric weight percentages between 5.08 wt% and 6.39 wt%. Analysis of average adsorption energy, Gibbs free energy change, and other DFT parameters indicates that H₂ molecules are effectively adsorbed on these systems. This research provides valuable insights for the development of stable and high-capacity H₂ storage solutions.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100093"},"PeriodicalIF":0.0,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Silica (SiO2) is the most abundant substance in the earth's crust. Rice husk (RH) is an excellent silica source and can replace conventional silica sources. In this work, Thermal and chemical treatment methods to synthesize silica from rice husks. The multiple properties of silica sources depend on various calcination temperatures (500–1000 °C) and time (1–6 h) in temperature-controlled muffle furnaces. X-ray Diffraction (XRD) data indicated that rice husk ash produced silica of different silica phases such as amorphous and crystalline such as quartz, tridymite, cristobalite, wollastonite phase, etc. The purity of silica from rice husk is increased at higher calcination temperatures examined by X-ray Fluorescence (XRF). The highest purity of silica was above 97 % at 1000 °C. Fourier transform infrared spectroscopy (FTIR) revealed that the stretching and bending vibration of siloxane and silanol group of silica is similar to commercial grade silica. The surface morphological structure of rice husk ash, which is observed by Scanning Electronic Microscope (SEM) result, confirms that the highest amount of silica content is in the outer layer of the husk, which is in the amorphous form. The removal of organic residues such as hemicellulose, cellulose, and lignin from rice husk, as well as the stability of silica up to 650 °C, were indicated by thermal analysis (TGA, DTA). These studies optimize the identification of temperature and time for the calcination process.
{"title":"Effect of temperature and time on purity, morphology and phase transformations of silica from rice husk","authors":"Md. Tariqul Islam , Md. Faruk Hossen , Md. Kudrat-E-Zahan , Md. Ali Asraf , C.M. Zakaria , Hayatullah , Md Shohel Rana","doi":"10.1016/j.cinorg.2025.100092","DOIUrl":"10.1016/j.cinorg.2025.100092","url":null,"abstract":"<div><div>Silica (SiO<sub>2</sub>) is the most abundant substance in the earth's crust. Rice husk (RH) is an excellent silica source and can replace conventional silica sources. In this work, Thermal and chemical treatment methods to synthesize silica from rice husks. The multiple properties of silica sources depend on various calcination temperatures (500–1000 °C) and time (1–6 h) in temperature-controlled muffle furnaces. X-ray Diffraction (XRD) data indicated that rice husk ash produced silica of different silica phases such as amorphous and crystalline such as quartz, tridymite, cristobalite, wollastonite phase, etc. The purity of silica from rice husk is increased at higher calcination temperatures examined by X-ray Fluorescence (XRF). The highest purity of silica was above 97 % at 1000 °C. Fourier transform infrared spectroscopy (FTIR) revealed that the stretching and bending vibration of siloxane and silanol group of silica is similar to commercial grade silica. The surface morphological structure of rice husk ash, which is observed by Scanning Electronic Microscope (SEM) result, confirms that the highest amount of silica content is in the outer layer of the husk, which is in the amorphous form. The removal of organic residues such as hemicellulose, cellulose, and lignin from rice husk, as well as the stability of silica up to 650 °C, were indicated by thermal analysis (TGA, DTA). These studies optimize the identification of temperature and time for the calcination process.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100092"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143306301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-01DOI: 10.1016/j.cinorg.2025.100088
Priya Singh , Aditya Kumar , Ajeet Singh
Azaborine derivatives were investigated as hole-transporting materials (HTMs) by employing density functional theory (DFT) calculations. Marcus theory and Einstein relationship have also been used to investigate different properties of HTMs. We have also performed time-dependant density functional theory (TD-DFT) calculations to investigate the optical, electronic and charge transport properties of designed molecules. Calculated results infer that the designed molecules display characteristic traits of a HTM. The calculated highest occupied molecular orbital (HOMO) level and hole reorganization energies are lower than that of electronic ones. Further, molecular electrostatic potential analysis and density of states are used to identify the various charge locations in molecules. To check the viability of our designed HTMs, we have taken 9:PC61BM complex for better understanding the charge transfer between the hole transport materials with well-known electron acceptor material.
{"title":"Quest and designing of organic molecular frameworks for efficient hole transport materials","authors":"Priya Singh , Aditya Kumar , Ajeet Singh","doi":"10.1016/j.cinorg.2025.100088","DOIUrl":"10.1016/j.cinorg.2025.100088","url":null,"abstract":"<div><div>Azaborine derivatives were investigated as hole-transporting materials (HTMs) by employing density functional theory (DFT) calculations. Marcus theory and Einstein relationship have also been used to investigate different properties of HTMs. We have also performed time-dependant density functional theory (TD-DFT) calculations to investigate the optical, electronic and charge transport properties of designed molecules. Calculated results infer that the designed molecules display characteristic traits of a HTM. The calculated highest occupied molecular orbital (HOMO) level and hole reorganization energies are lower than that of electronic ones. Further, molecular electrostatic potential analysis and density of states are used to identify the various charge locations in molecules. To check the viability of our designed HTMs, we have taken <strong>9:PC61BM</strong> complex for better understanding the charge transfer between the hole transport materials with well-known electron acceptor material.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100088"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143347834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-31DOI: 10.1016/j.cinorg.2025.100090
N. Manjula , A.R. Balu , N. Arunkumar , S. Chitra Devi , M. Sriramraj , V. Rajamani , A. Vinith
The antibacterial and water remediation capabilities of CdO (CO), graphene oxide blended CdO (GCO), and reduced graphene oxide blended CdO (rCO) nanoparticles produced using one-pot green synthesis and chemical precipitation techniques have been compared. XRD, SEM, TEM, BET, XPS, UV–Vis–NIR, PL, and FTIR techniques were employed to characterise the produced NPs. CO, GCO, and rCO all have a cubic crystal structure and tend to grow in a (1 1 1) direction. The scanning electron micrographs showed that the grains were evenly distributed. Oxidation states of Cd and O in rCO sample were Cd2+ and O2− from XPS analysis. Cd–O stretching vibration occurs at 668, 556 and 472 cm−1 for CO, GCO and rCO, respectively. Optical absorption of CO increased with GO and rGO blending. Blending GO reduced CO's band gap from 2.44 to 2.41 and rGO lowered it to 2.39 eV. The photodegradation effectiveness of CO, GCO and rCO against methyl orange (MO) dye under visible light was 80.9, 86.6 and 95 % after 90 min. Bacterial growth inhibition quality of CO increased with GO/rGO blending and they show better resistance against B. subtilis (gram + ve) than E. coli (gram –ve) bacteria. Compared to GCO, rCO exhibited better photocatalytic and antibacterial properties signifying its potential for water remediation and antibacterial applications.
{"title":"Water remediation and antibacterial characteristics of CdO, graphene oxide and reduced graphene oxide blended CdO nanoparticles – A comparative study","authors":"N. Manjula , A.R. Balu , N. Arunkumar , S. Chitra Devi , M. Sriramraj , V. Rajamani , A. Vinith","doi":"10.1016/j.cinorg.2025.100090","DOIUrl":"10.1016/j.cinorg.2025.100090","url":null,"abstract":"<div><div>The antibacterial and water remediation capabilities of CdO (CO), graphene oxide blended CdO (GCO), and reduced graphene oxide blended CdO (rCO) nanoparticles produced using one-pot green synthesis and chemical precipitation techniques have been compared. XRD, SEM, TEM, BET, XPS, UV–Vis–NIR, PL, and FTIR techniques were employed to characterise the produced NPs. CO, GCO, and rCO all have a cubic crystal structure and tend to grow in a (1 1 1) direction. The scanning electron micrographs showed that the grains were evenly distributed. Oxidation states of Cd and O in rCO sample were Cd<sup>2+</sup> and O<sup>2−</sup> from XPS analysis. Cd–O stretching vibration occurs at 668, 556 and 472 cm<sup>−1</sup> for CO, GCO and rCO, respectively. Optical absorption of CO increased with GO and rGO blending. Blending GO reduced CO's band gap from 2.44 to 2.41 and rGO lowered it to 2.39 eV. The photodegradation effectiveness of CO, GCO and rCO against methyl orange (MO) dye under visible light was 80.9, 86.6 and 95 % after 90 min. Bacterial growth inhibition quality of CO increased with GO/rGO blending and they show better resistance against <em>B. subtilis</em> (gram + ve) than <em>E. coli</em> (gram –ve) bacteria. Compared to GCO, rCO exhibited better photocatalytic and antibacterial properties signifying its potential for water remediation and antibacterial applications.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100090"},"PeriodicalIF":0.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143306300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Gallium ferrite nanoparticles (GFOnps) were synthesized using the sol-gel technique and characterized for their structural, optical, and multiferroic properties. They were also studied for photocatalytic degradation of methyl violet and methylene blue dyes. GFOnps, calcined at 900 °C, exhibited an orthorhombic (Pc21n) phase confirmed by XRD and Raman spectroscopy. UV–Vis measurements revealed a broad absorption band between 500 nm and 800nm, with an energy bandgap (Eg) of 2.08 eV calculated using the Tauc plot. Transmission electron microscopy indicated well-distributed particles with sizes ranging from 20 to 40 nm. Multiferroic properties were assessed via PE and VSM measurements, showing an irregular PE hysteresis loop and a ferrimagnetic hysteresis loop that did not saturate at 6T. In the photocatalytic study, GFOnps achieved 97 % degradation of Methyl Violet in 120 min and 56.6 % degradation of Methylene Blue in 150 min, with reusability up to three cycles. These results highlight GFOnps' excellent potential as a photocatalyst for the degradation of multiple dyes.
{"title":"Room temperature multiferroic nanostructured gallium ferrite based visible light driven photocatalyst for degradation of azine dyes","authors":"Vidya Spriha Kujur, Tarun Kumar Dhiman, Satyendra Singh","doi":"10.1016/j.cinorg.2025.100091","DOIUrl":"10.1016/j.cinorg.2025.100091","url":null,"abstract":"<div><div>Gallium ferrite nanoparticles (GFOnps) were synthesized using the sol-gel technique and characterized for their structural, optical, and multiferroic properties. They were also studied for photocatalytic degradation of methyl violet and methylene blue dyes. GFOnps, calcined at 900 °C, exhibited an orthorhombic (Pc21n) phase confirmed by XRD and Raman spectroscopy. UV–Vis measurements revealed a broad absorption band between 500 nm and 800nm, with an energy bandgap (Eg) of 2.08 eV calculated using the Tauc plot. Transmission electron microscopy indicated well-distributed particles with sizes ranging from 20 to 40 nm. Multiferroic properties were assessed via PE and VSM measurements, showing an irregular PE hysteresis loop and a ferrimagnetic hysteresis loop that did not saturate at 6T. In the photocatalytic study, GFOnps achieved 97 % degradation of Methyl Violet in 120 min and 56.6 % degradation of Methylene Blue in 150 min, with reusability up to three cycles. These results highlight GFOnps' excellent potential as a photocatalyst for the degradation of multiple dyes.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100091"},"PeriodicalIF":0.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-30DOI: 10.1016/j.cinorg.2025.100087
William Moloto , Pontsho Mbule , Edward Nxumalo , Bulelwa Ntsendwana
In an attempt to improve DSSCs efficiency, titanium dioxide (TiO2) hybrid photoanode materials exuding electrocatalytic and photoelectrocatalytic were incorporated into iron based metal organic frameworks (MOFs) derived from BTC = 1,3,5-Benzenetricarboxylic acid and Bismuth based polyoxometalates (POMs). The combination of FeBTC and BiPOM were used to form enhanced photoelectrocatalytic properties, with different concentrations of N-doped carbon quantum dots (CQDs) as the light absorbing materials. The TiO2-FeBTC-BiPOM (6 %) nanocomposites doped with 400 μg/mL CQDs exhibited improved performance with lower charge transfer resistance. As a result, this electrode was used to fabricate a novel natural dye (chlorophyll, anthocyanin and cocktail mixture)-based DSSCs.The cocktail based mixture showed higher power conversion efficiency of 1.92 % compared to spinach based DSSCs (0.98 %) and purple cabbage (0.89 %) under 100 mW/cm2 light illumination with 30 ms of electron lifetime, which is three times and four times more than spinach and cabbage based DSSCs respectively. In comparison to synthetic DSSCs, the efficiency of the natural dyes was still lower than N3 dyes. However, considering practical requirements of DSSCs, the natural dye-based devices satisfy most of the criteria such as affordability, ease of extraction, multiple wavelengths that can be absorbed with large coefficient, non-toxicity, and wide availability.
{"title":"Fabrication of metal organic framework/Polyoxometalate-TiO2 based DSCCs with enhanced electron lifetime and reduced recombination of charge carriers sensitized with cabbage/spinach cocktail natural dyes","authors":"William Moloto , Pontsho Mbule , Edward Nxumalo , Bulelwa Ntsendwana","doi":"10.1016/j.cinorg.2025.100087","DOIUrl":"10.1016/j.cinorg.2025.100087","url":null,"abstract":"<div><div>In an attempt to improve DSSCs efficiency, titanium dioxide (TiO<sub>2</sub>) hybrid photoanode materials exuding electrocatalytic and photoelectrocatalytic were incorporated into iron based metal organic frameworks (MOFs) derived from BTC = 1,3,5-Benzenetricarboxylic acid and Bismuth based polyoxometalates (POMs). The combination of FeBTC and BiPOM were used to form enhanced photoelectrocatalytic properties, with different concentrations of <em>N</em>-doped carbon quantum dots (CQDs) as the light absorbing materials. The TiO<sub>2</sub>-FeBTC-BiPOM (6 %) nanocomposites doped with 400 μg/mL CQDs exhibited improved performance with lower charge transfer resistance. As a result, this electrode was used to fabricate a novel natural dye (chlorophyll, anthocyanin and cocktail mixture)-based DSSCs.The cocktail based mixture showed higher power conversion efficiency of 1.92 % compared to spinach based DSSCs (0.98 %) and purple cabbage (0.89 %) under 100 mW/cm<sup>2</sup> light illumination with 30 ms of electron lifetime, which is three times and four times more than spinach and cabbage based DSSCs respectively. In comparison to synthetic DSSCs, the efficiency of the natural dyes was still lower than N3 dyes. However, considering practical requirements of DSSCs, the natural dye-based devices satisfy most of the criteria such as affordability, ease of extraction, multiple wavelengths that can be absorbed with large coefficient, non-toxicity, and wide availability.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"5 ","pages":"Article 100087"},"PeriodicalIF":0.0,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134903","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}