Graphene oxide (GO) was synthesized via the modified Hummers' method and characterized using SEM, TEM, EDS, XRD, and UV–Vis spectroscopy to assess its morphology and chemical composition. The structural, morphological, and electrochemical properties of GO were evaluated, with a focus on its performance in supercapacitor applications. Electrochemical studies, including CV, GCD, and EIS, revealed efficient charge storage and rapid electron transfer, with the GO electrode exhibiting a specific capacitance of 147 F/g at 5 mV/s, and energy and power densities of 14.90 Wh/kg and 242.04 W/kg, respectively, at 1.0 mA. The GO/PVA/GO symmetric device exhibits efficient capacitive behavior with rapid, stable charge-discharge performance. CV curves remain quasi-rectangular up to 150 mV/s, and GCD shows rapidly decreasing discharge times with increasing current, indicating fast electrochemical kinetics. EIS confirms low series resistance and charge-transfer resistance, demonstrating good ionic conductivity and strong potential for stable, high-performance supercapacitor applications.
{"title":"High-performance graphene oxide electrode synthesized via modified Hummer's method for supercapacitor application","authors":"Vijay Prajapati , Jyoti Yadav , Divya Tripathi , Surya Prakash Singh , Satyam Tripathi , Ravindra Kumar Rawat , Pratima Chauhan","doi":"10.1016/j.cinorg.2025.100135","DOIUrl":"10.1016/j.cinorg.2025.100135","url":null,"abstract":"<div><div>Graphene oxide (GO) was synthesized via the modified Hummers' method and characterized using SEM, TEM, EDS, XRD, and UV–Vis spectroscopy to assess its morphology and chemical composition. The structural, morphological, and electrochemical properties of GO were evaluated, with a focus on its performance in supercapacitor applications. Electrochemical studies, including CV, GCD, and EIS, revealed efficient charge storage and rapid electron transfer, with the GO electrode exhibiting a specific capacitance of 147 F/g at 5 mV/s, and energy and power densities of 14.90 Wh/kg and 242.04 W/kg, respectively, at 1.0 mA. The GO/PVA/GO symmetric device exhibits efficient capacitive behavior with rapid, stable charge-discharge performance. CV curves remain quasi-rectangular up to 150 mV/s, and GCD shows rapidly decreasing discharge times with increasing current, indicating fast electrochemical kinetics. EIS confirms low series resistance and charge-transfer resistance, demonstrating good ionic conductivity and strong potential for stable, high-performance supercapacitor applications.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"8 ","pages":"Article 100135"},"PeriodicalIF":0.0,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145685432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-28DOI: 10.1016/j.cinorg.2025.100134
Vilas S. Jadhav, Kunal D. Gaikwad
This study examines the impact of Cu doping on the supercapacitive properties of BiVO4 nanostructures. It reports Cu–BiVO4 nanostructures with varying Cu contents, prepared by the hydrothermal method, and studies their morphology and physical, structural, and electrochemical properties. XRD analysis revealed that all samples consisted of pure monoclinic BiVO4, with no significant secondary phases detected. The FTIR spectra displayed shifts in the V–O and Bi–O vibrational modes, indicating Cu was incorporated into the host lattice. Results from UV–Vis analysis showed that doping Cu into BiVO4 enhanced absorption in the green-to-visible light range and shifted the optical absorption edge toward longer wavelengths, suggesting that the band gap could be narrowed by Cu doping. SEM-EDX provided detailed information on the morphology and uniformity of elemental distribution in the synthesized nanostructures. Electrochemical analysis using cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) methods confirmed a significant improvement in the supercapacitive performance of Cu–BiVO4. When the 10 % Cu–BiVO4 electrode was fabricated, it achieved a higher specific capacitance (Cs) of 90.5 F/g at a CV scan rate of 10 mV/s, which is significantly higher than that of the synthesized pristine material. BiVO4 (34 F/g). This was supported by GCD measurements, which showed specific capacitances of 60 F/g at 0.5 mA/g for the 10 % Cu-doped material, 47 F/g for the 5 % Cu-doped material, and only 12.5 F/g for BiVO4. This work highlights the significant impact of well-controlled Cu doping on both the physical and electrochemical properties of BiVO4, making Cu–BiVO4 highly promising for advanced energy storage systems, as demonstrated through a combined theoretical and experimental approach.
{"title":"Cu-doping for improved BiVO4 nanostructured supercapacitors: A structural and electrochemical study","authors":"Vilas S. Jadhav, Kunal D. Gaikwad","doi":"10.1016/j.cinorg.2025.100134","DOIUrl":"10.1016/j.cinorg.2025.100134","url":null,"abstract":"<div><div>This study examines the impact of Cu doping on the supercapacitive properties of BiVO<sub>4</sub> nanostructures. It reports Cu–BiVO<sub>4</sub> nanostructures with varying Cu contents, prepared by the hydrothermal method, and studies their morphology and physical, structural, and electrochemical properties. XRD analysis revealed that all samples consisted of pure monoclinic BiVO<sub>4</sub>, with no significant secondary phases detected. The FTIR spectra displayed shifts in the V–O and Bi–O vibrational modes, indicating Cu was incorporated into the host lattice. Results from UV–Vis analysis showed that doping Cu into BiVO<sub>4</sub> enhanced absorption in the green-to-visible light range and shifted the optical absorption edge toward longer wavelengths, suggesting that the band gap could be narrowed by Cu doping. SEM-EDX provided detailed information on the morphology and uniformity of elemental distribution in the synthesized nanostructures. Electrochemical analysis using cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) methods confirmed a significant improvement in the supercapacitive performance of Cu–BiVO<sub>4</sub>. When the 10 % Cu–BiVO<sub>4</sub> electrode was fabricated, it achieved a higher specific capacitance (Cs) of 90.5 F/g at a CV scan rate of 10 mV/s, which is significantly higher than that of the synthesized pristine material. BiVO<sub>4</sub> (34 F/g). This was supported by GCD measurements, which showed specific capacitances of 60 F/g at 0.5 mA/g for the 10 % Cu-doped material, 47 F/g for the 5 % Cu-doped material, and only 12.5 F/g for BiVO<sub>4</sub>. This work highlights the significant impact of well-controlled Cu doping on both the physical and electrochemical properties of BiVO<sub>4</sub>, making Cu–BiVO<sub>4</sub> highly promising for advanced energy storage systems, as demonstrated through a combined theoretical and experimental approach.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"8 ","pages":"Article 100134"},"PeriodicalIF":0.0,"publicationDate":"2025-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145685433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-22DOI: 10.1016/j.cinorg.2025.100132
L. Bruno Chandrasekar , J. Jayarubi , D. Gopinath , M. Karunakaran , J. Thirumalai , Sonaimuthu Mohandoss , Subramanian Palanisamy , P. Shunmuga Sundaram , S. Sakthivel , B. Kabilan , D. Shanmugapriya
In this work, vanadium-doped zinc oxide nanoparticles are synthesized by the hydrothermal method. A series of nanoparticles is prepared with various doping concentrations of vanadium. The microscopic morphology and particle size of the material are analyzed. The results indicate that the doping notably changes the band gap, charge carrier concentration, Hall coefficient and refractive index of the nanoparticles. Frequency-dependent dielectric constant as well as electric modulus are examined and the results depend on the doping concentration of vanadium also. The photocatalytic properties of the prepared nanoparticles are studied using Congo red and methylene blue dyes. The material has a higher degradation efficiency for Congo red than methylene blue. 99.76 % degradation of Congo red and 41.26 % degradation of methylene blue were observed at 180 min using the prepared nanoparticles. The rate constants and the degradation mechanism as a function of vanadium doping concentration are discussed.
{"title":"Effect of vanadium doping on optical and photocatalytic activity of ZnO nanoparticles","authors":"L. Bruno Chandrasekar , J. Jayarubi , D. Gopinath , M. Karunakaran , J. Thirumalai , Sonaimuthu Mohandoss , Subramanian Palanisamy , P. Shunmuga Sundaram , S. Sakthivel , B. Kabilan , D. Shanmugapriya","doi":"10.1016/j.cinorg.2025.100132","DOIUrl":"10.1016/j.cinorg.2025.100132","url":null,"abstract":"<div><div>In this work, vanadium-doped zinc oxide nanoparticles are synthesized by the hydrothermal method. A series of nanoparticles is prepared with various doping concentrations of vanadium. The microscopic morphology and particle size of the material are analyzed. The results indicate that the doping notably changes the band gap, charge carrier concentration, Hall coefficient and refractive index of the nanoparticles. Frequency-dependent dielectric constant as well as electric modulus are examined and the results depend on the doping concentration of vanadium also. The photocatalytic properties of the prepared nanoparticles are studied using Congo red and methylene blue dyes. The material has a higher degradation efficiency for Congo red than methylene blue. 99.76 % degradation of Congo red and 41.26 % degradation of methylene blue were observed at 180 min using the prepared nanoparticles. The rate constants and the degradation mechanism as a function of vanadium doping concentration are discussed.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"8 ","pages":"Article 100132"},"PeriodicalIF":0.0,"publicationDate":"2025-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145584379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
High-crystalline nanoparticles (NPs) were explored for the first time as a waste-to-wealth approach, utilizing rutile NPs from screen-printing waste as a predominant reactant catalyst for the hydrolysis, denoted as X at pH 7.0 and Y at pH 9.0. The NPs were investigated using state-of-the-art instrumentation XRD, DLS, zeta sizer, UV-Vis-NIR, TGA-DSC, SEM, TEM, SAED and EDS techniques to assess their crystal identities. Crystalline rutile explored average crystallite sizes of 96.32 and 82.78 nm for X, Y respectively, depicted nanocrystals. The computed lattice parameters of X, a=b= 4.59579 Å, c= 2.96027 Å and Y, a=b= 4.59526 Å c= 2.95979 Å express identical symmetry and weight fraction in the whole powder pattern fitting (WPPF) method in 100 % rutile phase. The Zeta wall potential showed higher electrostatic stability of Y than X. The transmission electron microscopy (TEM) morphography explored nano-sized distribution in the inner core particle and the selected area electron diffraction (SAED) pattern showed Y to be more crystalline than X. The estimated band gap energy was 2.31 eV for X and 2.73 eV for Y, demonstrating quantum confinement effects at higher pH which explores photoactivity. Scanning electron microscopy (SEM) explored the surface morphology in which the particle uniformly grows on surface Y than X. The energy dispersive spectroscopy (EDS) pattern in TEM confirmed atomic mass percentages of 61.41 % Ti and 38.59 % O of X; on the other hand, 62.60 Ti % and 37.40 O % were shown in Y. Thermo-gravimetric and differential scanning calorimetry (TGA-DSC) analysis revealed high thermal stability up to 800 °C. The wettability of Y is greater than X revealed by the drop shape analyzer. The photocatalytic degradation of Crystal Violet (CV) dye under halogen radiation showed degradation efficiencies of 69.0 % to 70.89 % respectively, indicating that X followed zero-order kinetics whereas Y followed second-order kinetics, suggesting the dependence on reactant concentration at higher pH. The catalyst showed outstanding performance in several recycling tests. These findings demonstrate the potential of TiO2 nanocrystals derived from industrial waste for environmental remediation.
{"title":"Effect of hydrolysis catalyst and photo-catalysis performance exploration of rutile nanocrystal derived from screen printing waste: A waste to wealth approach","authors":"Fahim Khandokar Anik , Md. Ashraful Alam , Raton Kumar Bishwas , Md. Mazedul Haque Sachchu , Mohammad Mohsin , Shirin Akter Jahan","doi":"10.1016/j.cinorg.2025.100131","DOIUrl":"10.1016/j.cinorg.2025.100131","url":null,"abstract":"<div><div>High-crystalline nanoparticles (NPs) were explored for the first time as a waste-to-wealth approach, utilizing rutile NPs from screen-printing waste as a predominant reactant catalyst for the hydrolysis, denoted as X at pH 7.0 and Y at pH 9.0. The NPs were investigated using state-of-the-art instrumentation XRD, DLS, zeta sizer, UV-Vis-NIR, TGA-DSC, SEM, TEM, SAED and EDS techniques to assess their crystal identities. Crystalline rutile explored average crystallite sizes of 96.32 and 82.78 nm for X, Y respectively, depicted nanocrystals. The computed lattice parameters of X, a=b= 4.59579 Å, c= 2.96027 Å and Y, a=b= 4.59526 Å c= 2.95979 Å express identical symmetry and weight fraction in the whole powder pattern fitting (WPPF) method in 100 % rutile phase. The Zeta wall potential showed higher electrostatic stability of Y than X. The transmission electron microscopy (TEM) morphography explored nano-sized distribution in the inner core particle and the selected area electron diffraction (SAED) pattern showed Y to be more crystalline than X. The estimated band gap energy was 2.31 eV for X and 2.73 eV for Y, demonstrating quantum confinement effects at higher pH which explores photoactivity. Scanning electron microscopy (SEM) explored the surface morphology in which the particle uniformly grows on surface Y than X. The energy dispersive spectroscopy (EDS) pattern in TEM confirmed atomic mass percentages of 61.41 % Ti and 38.59 % O of X; on the other hand, 62.60 Ti % and 37.40 O % were shown in Y. Thermo-gravimetric and differential scanning calorimetry (TGA-DSC) analysis revealed high thermal stability up to 800 °C. The wettability of Y is greater than X revealed by the drop shape analyzer. The photocatalytic degradation of Crystal Violet (CV) dye under halogen radiation showed degradation efficiencies of 69.0 % to 70.89 % respectively, indicating that X followed zero-order kinetics whereas Y followed second-order kinetics, suggesting the dependence on reactant concentration at higher pH. The catalyst showed outstanding performance in several recycling tests. These findings demonstrate the potential of TiO<sub>2</sub> nanocrystals derived from industrial waste for environmental remediation.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"8 ","pages":"Article 100131"},"PeriodicalIF":0.0,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145584454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1016/j.cinorg.2025.100130
Fatin M. Elmagbari , Ahmed N. Hammouda , Rashd M. EL-Ferjani , Aya O. Abouligheeb , Wesal A. Abdulqader , Abdel-Fattah Y. Ateeyah , Younis O. Ben Amer , Graham E. Jackson , Raffaele P. Bonomo , Yassir Younis
Two novel mixed amine/amide/pyridyl ligands, H(555)NH2 and H(555)NMe2, were synthesised and evaluated as optical chemical sensors for Cu(II) ion detection. Potentiometric, spectrophotometric, and DFT studies revealed distinct coordination behaviours involving pyridyl, amide, and amine donors, resulting in well-defined Cu(II) complexes with characteristic absorption maxima at 569 nm and 631 nm, respectively. The UV–Vis spectra exhibited pH-dependent speciation consistent with potentiometric data, and the deconvoluted electronic and EPR spectra supported tetragonally distorted Cu(II) geometries. Optical sensing showed excellent linearity between absorbance and Cu(II) concentration, with correlation coefficients (R2) of 0.9984 (H(555)NH2) and 0.9979 (H(555)NMe2), and limits of detection (LOD) of 7.6 × 10−4 and 6.2 × 10−4 mol dm−3, respectively. Both sensors displayed outstanding photostability (RSD ≤0.4 %) and reproducibility under continuous illumination, with negligible interference from common metal ions. Comparative analysis indicated that while H(555)NMe2 offers slightly improved sensitivity, H(555)NH2 exhibits greater photostability and operational robustness. Validation with spiked lake water samples yielded recoveries of 96.8–103.4 %, confirming the reliability of these ligands as selective, reproducible, and practical optical sensors for Cu(II) detection in environmental analysis.
{"title":"Synthesis, spectroscopic characterization, and DFT analysis of Cu(II) diamide complexes for optical chemical sensing applications","authors":"Fatin M. Elmagbari , Ahmed N. Hammouda , Rashd M. EL-Ferjani , Aya O. Abouligheeb , Wesal A. Abdulqader , Abdel-Fattah Y. Ateeyah , Younis O. Ben Amer , Graham E. Jackson , Raffaele P. Bonomo , Yassir Younis","doi":"10.1016/j.cinorg.2025.100130","DOIUrl":"10.1016/j.cinorg.2025.100130","url":null,"abstract":"<div><div>Two novel mixed amine/amide/pyridyl ligands, H(555)NH<sub>2</sub> and H(555)NMe<sub>2</sub>, were synthesised and evaluated as optical chemical sensors for Cu(II) ion detection. Potentiometric, spectrophotometric, and DFT studies revealed distinct coordination behaviours involving pyridyl, amide, and amine donors, resulting in well-defined Cu(II) complexes with characteristic absorption maxima at 569 nm and 631 nm, respectively. The UV–Vis spectra exhibited pH-dependent speciation consistent with potentiometric data, and the deconvoluted electronic and EPR spectra supported tetragonally distorted Cu(II) geometries. Optical sensing showed excellent linearity between absorbance and Cu(II) concentration, with correlation coefficients (R<sup>2</sup>) of 0.9984 (H(555)NH<sub>2</sub>) and 0.9979 (H(555)NMe<sub>2</sub>), and limits of detection (LOD) of 7.6 × 10<sup>−4</sup> and 6.2 × 10<sup>−4</sup> mol dm<sup>−3</sup>, respectively. Both sensors displayed outstanding photostability (RSD ≤0.4 %) and reproducibility under continuous illumination, with negligible interference from common metal ions. Comparative analysis indicated that while H(555)NMe<sub>2</sub> offers slightly improved sensitivity, H(555)NH<sub>2</sub> exhibits greater photostability and operational robustness. Validation with spiked lake water samples yielded recoveries of 96.8–103.4 %, confirming the reliability of these ligands as selective, reproducible, and practical optical sensors for Cu(II) detection in environmental analysis.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"7 ","pages":"Article 100130"},"PeriodicalIF":0.0,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A CH3NH3PbI3 film was fabricated using a two-step spin-coating technique, following the successful synthesis of methylammonium iodide. X-ray Diffraction analysis confirmed the film's high crystallinity, with prominent peaks at 14.04° and 28.29° corresponding to the (110) and (220) planes, respectively. It exhibits sharp peaks, indicating the absence of impurities, and has an average crystallite size of 40 nm, calculated using the Scherrer equation. Optical and morphological characterization revealed a direct band gap of 1.66 eV, strong visible-light absorption, and a dense, crystalline morphology. Computational studies further highlighted the material's potential for fiber optic applications. The optical behavior of CH3NH3PbI3 is marked by a pronounced light–matter interaction in the visible region. Its refractive index reaches a maximum around 3 eV, while the absorption coefficient attains its highest value near 10 eV. The material reflects strongly below 5 eV but becomes increasingly transparent at higher photon energies. The dielectric function reveals energy storage at low energies and significant energy dissipation, with a peaking near 4 eV. Together, these optical characteristics and the pronounced variation in refractive index point to the potential for nonlinear optical effects.
{"title":"Experimental and computational investigation of CH3NH3PbI3 material for next-generation fiber optic applications","authors":"Mulayam Singh Patel , Priyanka Singh , Mithilesh Kumar Singh , Sandeep Yadav , Ravindra Kumar Rawat , Ambreesh Kumar , Dhirendra Kumar Chaudhary","doi":"10.1016/j.cinorg.2025.100129","DOIUrl":"10.1016/j.cinorg.2025.100129","url":null,"abstract":"<div><div>A CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> film was fabricated using a two-step spin-coating technique, following the successful synthesis of methylammonium iodide. X-ray Diffraction analysis confirmed the film's high crystallinity, with prominent peaks at 14.04° and 28.29° corresponding to the (110) and (220) planes, respectively. It exhibits sharp peaks, indicating the absence of impurities, and has an average crystallite size of 40 nm, calculated using the Scherrer equation. Optical and morphological characterization revealed a direct band gap of 1.66 eV, strong visible-light absorption, and a dense, crystalline morphology. Computational studies further highlighted the material's potential for fiber optic applications. The optical behavior of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> is marked by a pronounced light–matter interaction in the visible region. Its refractive index reaches a maximum around 3 eV, while the absorption coefficient attains its highest value near 10 eV. The material reflects strongly below 5 eV but becomes increasingly transparent at higher photon energies. The dielectric function reveals energy storage at low energies and significant energy dissipation, with a peaking near 4 eV. Together, these optical characteristics and the pronounced variation in refractive index point to the potential for nonlinear optical effects.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"7 ","pages":"Article 100129"},"PeriodicalIF":0.0,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145571336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This paper investigates the electronic and optical properties of porphine-functionalized single-walled carbon nanotube (SWCNT) compound using density functional theory (DFT). The functionalization of pristine SWCNT with porphine, according to numerical simulations, increases the band gap energy of the SWCNT material from 0.288 eV to 0.361 eV. As a result, there is a change in the total density of states (TDOS) peaks near to the Fermi level. After the combination of SWCNT and porphine chain, the absorption coefficient of the pristine SWCNT increases in the visible region while decreasing in the ultraviolet range. The observed redshift in the absorption peak of the functionalized SWCNT is attributed to the J-aggregate character. The electronic and optical characteristics of the SWCNT structure are strongly influenced by porphine functionalization. As a result, the porphine-functionalized SWCNT system shows great potential for various applications in materials science, particularly in optoelectronics.
{"title":"Optoelectronic properties of porphine-functionalized carbon nanotubes: DFT exploration","authors":"Abdelhafid Najim , Lhouceine Moulaoui , Mohamed Al-hattab , Anass Bakour , Omar Bajjou , Khalid Rahmani","doi":"10.1016/j.cinorg.2025.100127","DOIUrl":"10.1016/j.cinorg.2025.100127","url":null,"abstract":"<div><div>This paper investigates the electronic and optical properties of porphine-functionalized single-walled carbon nanotube (SWCNT) compound using density functional theory (DFT). The functionalization of pristine SWCNT with porphine, according to numerical simulations, increases the band gap energy of the SWCNT material from 0.288 eV to 0.361 eV. As a result, there is a change in the total density of states (TDOS) peaks near to the Fermi level. After the combination of SWCNT and porphine chain, the absorption coefficient of the pristine SWCNT increases in the visible region while decreasing in the ultraviolet range. The observed redshift in the absorption peak of the functionalized SWCNT is attributed to the J-aggregate character. The electronic and optical characteristics of the SWCNT structure are strongly influenced by porphine functionalization. As a result, the porphine-functionalized SWCNT system shows great potential for various applications in materials science, particularly in optoelectronics.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"7 ","pages":"Article 100127"},"PeriodicalIF":0.0,"publicationDate":"2025-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145415600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-24DOI: 10.1016/j.cinorg.2025.100126
N.S. Wadatkar , S.A. Waghuley
The present study explores polyindole (PIn)/tin oxide (SnO2) hybrid nanocomposites were synthesized by chemical oxidative polymerization method. The resulting nanocomposite material was characterized by analytical instruments such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and Transmission electron microscopy (TEM) to study their structural and morphological properties. The optical properties were examined through ultraviolet–visible and fluorescence spectroscopy. PIn/SnO2 nanocomposite based sensor exhibits significant sensing response at low operating temperature. Results here provide an easy, and environmentally friendly method to synthesize PIn/SnO2 which may have potential applications in the flexible electronic products and energy storage devices.
{"title":"Advances in chemical synthesis of polyindole/tin oxide hybrid nanocomposite for high performing flexible optoelectronic device applications","authors":"N.S. Wadatkar , S.A. Waghuley","doi":"10.1016/j.cinorg.2025.100126","DOIUrl":"10.1016/j.cinorg.2025.100126","url":null,"abstract":"<div><div>The present study explores polyindole (PIn)/tin oxide (SnO<sub>2</sub>) hybrid nanocomposites were synthesized by chemical oxidative polymerization method. The resulting nanocomposite material was characterized by analytical instruments such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and Transmission electron microscopy (TEM) to study their structural and morphological properties. The optical properties were examined through ultraviolet–visible and fluorescence spectroscopy. PIn/SnO<sub>2</sub> nanocomposite based sensor exhibits significant sensing response at low operating temperature. Results here provide an easy, and environmentally friendly method to synthesize PIn/SnO<sub>2</sub> which may have potential applications in the flexible electronic products and energy storage devices.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"7 ","pages":"Article 100126"},"PeriodicalIF":0.0,"publicationDate":"2025-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145415601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pollution from industrial dye waste is a major environmental concern, especially in water bodies. These synthetic dyes often contain toxic substances that harm aquatic life and affect water quality. In response to this matter, the current research goal is to enhance the Montmorillonite's (MMT) adsorption efficiency through its transformation with acid activation and doping of metal oxide. This study presents the synthesis of a hybrid composite (Fe/ZnO/H+-MMT), combining acid-activated MMT with Iron and zinc oxide nanoparticles as an efficient adsorbent for the extraction of MB dye from water. The composite was then characterized by multiple analytical techniques like Powder XRD, FT-IR, BET, FESEM, and HRTEM. At a neutral pH, 120 min of time period, 100 mg/L of starting dye concentration, and 0.8 g/L of adsorbent dose at room temperature, this composite removes MB to 97.54 ± 0.14 %. The Langmuir model revealed a highest monolayer adsorption capacity (qmax) of 169.49 mg/g with R2 = 0.9938 among the isotherm model, which indicates that the adsorption involves chemical interactions in the process of adsorption. In kinetic studies, this experiment fit the PSO quite well with R2 = 0.99887 and the BET surface area is 171.287 m2/g. These outcomes demonstrate the potential of the Fe/ZnO/H+-MMT composite as a highly effective and promising adsorbent for MB removal from aqueous medium.
{"title":"Development of Fe/ZnO/H+-montmorillonite nanocomposite for effective cationic dye (Methylene blue) removal from aqueous solutions","authors":"Chandini Machahary , Angita Sarkar , Bipul Das , Sanjay Basumatary","doi":"10.1016/j.cinorg.2025.100128","DOIUrl":"10.1016/j.cinorg.2025.100128","url":null,"abstract":"<div><div>Pollution from industrial dye waste is a major environmental concern, especially in water bodies. These synthetic dyes often contain toxic substances that harm aquatic life and affect water quality. In response to this matter, the current research goal is to enhance the Montmorillonite's (MMT) adsorption efficiency through its transformation with acid activation and doping of metal oxide. This study presents the synthesis of a hybrid composite (Fe/ZnO/H<sup>+</sup>-MMT), combining acid-activated MMT with Iron and zinc oxide nanoparticles as an efficient adsorbent for the extraction of MB dye from water. The composite was then characterized by multiple analytical techniques like Powder XRD, FT-IR, BET, FESEM, and HRTEM. At a neutral pH, 120 min of time period, 100 mg/L of starting dye concentration, and 0.8 g/L of adsorbent dose at room temperature, this composite removes MB to 97.54 ± 0.14 %. The Langmuir model revealed a highest monolayer adsorption capacity (q<sub>max</sub>) of 169.49 mg/g with R<sup>2</sup> = 0.9938 among the isotherm model, which indicates that the adsorption involves chemical interactions in the process of adsorption. In kinetic studies, this experiment fit the PSO quite well with R<sup>2</sup> = 0.99887 and the BET surface area is 171.287 m<sup>2</sup>/g. These outcomes demonstrate the potential of the Fe/ZnO/H<sup>+</sup>-MMT composite as a highly effective and promising adsorbent for MB removal from aqueous medium.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"7 ","pages":"Article 100128"},"PeriodicalIF":0.0,"publicationDate":"2025-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145415599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-17DOI: 10.1016/j.cinorg.2025.100123
Md. Khalid Hossain Shishir , Mahfuzul Islam , Nafis Rahman Sayeem , Nurus Sabah Anam , Md. Rahadul Islam Shipon , Md. Rifat , Shanawaz Ahmed , Md. Tauhiduzzaman , Md. Ashraful Alam
The synthesis pathway plays a crucial role in determining the crystallographic and functional properties of copper oxide nanoparticles (CuO NPs). Here, present a comparative study of biological, chemical and physical synthesis routes, emphasizing their influence on structure–property relationships. Environmentally benign biological methods, utilizing plant extracts and microorganisms, yielded NPs with distinctive surface chemistries. In contrast, chemical techniques, such as precipitation and sol–gel, provided precise control over particle size and distribution. Physical methods, including thermal decomposition and laser ablation, produced highly pure nanostructures with well-defined crystallographic symmetry. Advanced characterization, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy and transmission electron microscopy revealed route-dependent variations in morphology, size and phase composition. XRD identified the (111) reflection as the most intense diffraction, though its dominance varied with growth conditions, confirming a monoclinic crystal structure and atomic packing factor of ∼0.65. XPS verified the CuO oxidation state and Fourier-transform infrared spectroscopy detected Cu–O stretching bands between 500 and 700 cm−1. The crystallographic attributes were directly linked to performance in antimicrobial activity, catalysis, gas sensing and energy storage. These findings establish a clear correlation between synthesis, structure and function, providing a framework for the targeted design of CuO NPs for advanced technological applications.
{"title":"Comprehensive synthesis route of crystalline copper oxide nanoparticles: A crystallographic analysis with functional application","authors":"Md. Khalid Hossain Shishir , Mahfuzul Islam , Nafis Rahman Sayeem , Nurus Sabah Anam , Md. Rahadul Islam Shipon , Md. Rifat , Shanawaz Ahmed , Md. Tauhiduzzaman , Md. Ashraful Alam","doi":"10.1016/j.cinorg.2025.100123","DOIUrl":"10.1016/j.cinorg.2025.100123","url":null,"abstract":"<div><div>The synthesis pathway plays a crucial role in determining the crystallographic and functional properties of copper oxide nanoparticles (CuO NPs). Here, present a comparative study of biological, chemical and physical synthesis routes, emphasizing their influence on structure–property relationships. Environmentally benign biological methods, utilizing plant extracts and microorganisms, yielded NPs with distinctive surface chemistries. In contrast, chemical techniques, such as precipitation and sol–gel, provided precise control over particle size and distribution. Physical methods, including thermal decomposition and laser ablation, produced highly pure nanostructures with well-defined crystallographic symmetry. Advanced characterization, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy and transmission electron microscopy revealed route-dependent variations in morphology, size and phase composition. XRD identified the (111) reflection as the most intense diffraction, though its dominance varied with growth conditions, confirming a monoclinic crystal structure and atomic packing factor of ∼0.65. XPS verified the CuO oxidation state and Fourier-transform infrared spectroscopy detected Cu–O stretching bands between 500 and 700 cm<sup>−1</sup>. The crystallographic attributes were directly linked to performance in antimicrobial activity, catalysis, gas sensing and energy storage. These findings establish a clear correlation between synthesis, structure and function, providing a framework for the targeted design of CuO NPs for advanced technological applications.</div></div>","PeriodicalId":100233,"journal":{"name":"Chemistry of Inorganic Materials","volume":"7 ","pages":"Article 100123"},"PeriodicalIF":0.0,"publicationDate":"2025-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145362033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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