Journal of Inorganic and Organometallic Polymers and Materials最新文献

{"title":"First-Principles Prediction of the Optoelectronic, Mechanical, Thermodynamic and Hydrogen Storage Attributes of Double Perovskite Rb2NaXH6 (X = Al, In) Hydrides","authors":"Hudabia Murtaza,&nbsp;Junaid Munir,&nbsp;Quratul Ain,&nbsp;Abdullah S. Aldwayyan,&nbsp;Hamid M. Ghaithan,&nbsp;Abdullah Ahmed Ali Ahmed,&nbsp;Saif M. H. Qaid","doi":"10.1007/s10904-024-03431-7","DOIUrl":"10.1007/s10904-024-03431-7","url":null,"abstract":"<div><p>Solid-state technology is considered the most affordable, secure and volumetrically efficient technique to store green energy. The key role of hydrogen storage in renewable energy lies in its ability to effectively capture, store, and distribute excess energy produced by intermittent sources such as solar and wind, therefore ensuring a dependable and sustainable energy provision. Perovskite hydrides have shown great promise in storing the hydrogen energy effectively. In this manuscript we have assessed the hydrogen storage potential for Rb₂NaXH₆ (X = Al, In). Using the FP-LAPW approach which is implanted in Wien2K computational code, the physical traits of Rb₂NaXH₆ (X = Al, In) are assessed in detail. The structural parameters are analyzed via volume optimization curves and tolerance factor, while for the assessment of the thermal stability, formation energies are computed. The mechanical properties for Rb₂NaXH₆ (X = Al, In) are evaluated by using the elastic constants computed by the Thomas Charpin method. The directional sound velocities regarding each crystallographic plane are also analyzed using these computed elastic constants. Indirect bandgaps for Rb₂NaXH₆ (X = Al, In) are reveled from the electronic properties. The optical properties assessed via Kramer-Kronig equations revealed significant absorption and scattering for both hydrides in the UV region. To assess the potential of both hydrides for efficient hydrogen storage, the gravimetric and volumetric ratios are also analyzed. Furthermore, the Gibb’s free energy equation is employed to evaluate the desorption temperatures for both studied hydrides. The attained results favor the use of Rb₂NaXH₆ (X = Al, In) in optoelectronic and hydrogen storage applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2877 - 2888"},"PeriodicalIF":3.9,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of a Bentonite Nanoparticle-Based Transdermal Drug Delivery System for Burn Wound Infection Prevention","authors":"A. R. Aliyev,&nbsp;U. A. Hasanova,&nbsp;A. A. Israyilova","doi":"10.1007/s10904-024-03427-3","DOIUrl":"10.1007/s10904-024-03427-3","url":null,"abstract":"<div><p>A novel drug delivery system was fabricated by incorporating levofloxacin within bentonite nanoparticles and subsequently integrating the composite onto polyvinylidene fluoride (PVDF) surgical mesh. Nanoparticle characterisation was conducted using scanning electron microscopy (SEM), transmission electron microscopy (TEM), zeta potential analysis, and X-ray diffraction (XRD). A drug-loaded patch incorporating a three-dimensional skin model was developed to simulate in vivo drug release. A two-dimensional computational model utilising Comsol software predicted sustained drug release over fourteen days. Antibacterial activity of the designed nanostructures was tested against <i>S. aureus</i> ATCC6538, <i>S. aureus</i> 1199, <i>S. aureus</i> 1199B, <i>S. epidermidis</i> ATCC 144,990 and <i>P. aeruginosa</i> which are considered as human skin infections. The results revealed that nano-bentonite@levofloxacin demonstrates better activity than levofloxacin. The highest inhibition activity of the designed nanocomposites (NB@LVF) was observed in the case of <i>S.aureus</i> 1199, <i>S.aureus</i> 1199B and <i>S.epidermidis</i> ATCC144990. These findings demonstrate the potential of bentonite nanoparticles as a carrier system for achieving prolonged antimicrobial effects in managing skin burn wounds through controlled release from a functionalised surgical mesh.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2814 - 2826"},"PeriodicalIF":3.9,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetism Engineering in MoS(_{2}) Monolayer Through Doping with Superhalogens","authors":"Nguyen Thanh Tien,&nbsp;Trinh Thi Hue,&nbsp;Sergio A. Aguila,&nbsp;Mario H. Farias,&nbsp;J. Guerrero-Sanchez,&nbsp;D. M. Hoat","doi":"10.1007/s10904-024-03425-5","DOIUrl":"10.1007/s10904-024-03425-5","url":null,"abstract":"<div><p>In this work, doping with superhalogens I<span>(_{A})</span>X<span>(_{2})</span> and II<span>(_{A})</span>X<span>(_{3})</span> (I<span>(_{A})</span> = Li and Na; II<span>(_{A})</span> = Be and Mg; X = F and Cl) is proposed to modify the electronic and magnetic properties of MoS<span>(_{2})</span> monolayer. Pristine monolayer is intrinsically non-magnetic semiconductor two-dimensional (2D) material with a direct band gap of 1.68 eV. MoS<span>(_{2})</span>- and MoS<span>(_{3})</span>-type multivacancies reduce this electronic parameter to 0.31 and 0.78 eV, respectively, preserving the non-magnetic nature. Meanwhile, the monolayer is significantly magnetized by doping with superhalogens, such that total magnetic moments between 0.93 and 0.96 <span>(mu _{B})</span> are obtained. The magnetic properties of the superhalogens-doped MoS<span>(_{2})</span> systems are produced mainly by Mo and S atoms around the doping sites, where the contribution of superhalogens to the system magnetism is negligible. Moreover, the substitution of superhalogens also leads to the emergence of the magnetic semiconductor nature in MoS<span>(_{2})</span> monolayer, whose spin-dependent band gaps are regulated by the doping-induced middle-gap energy states. Further, the Bader charge analysis indicates that the incorporated superhalogens attract charge from the host monolayer, except for BeCl<span>(_{3})</span> that transfers a charge quantity of 0.22 <i>e</i> to the host monolayer. Our results may introduce the superhalogens as candidates to be employed in order to functionalize MoS<span>(_{2})</span> monolayer towards applications in spintronic devices.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2783 - 2791"},"PeriodicalIF":3.9,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Construction of Light and Temperature-Responsive Acrylamide Copolymer-Metal Organic Frameworks for Breast Cancer Therapy","authors":"Tingting Chen,&nbsp;Yangling Xiao,&nbsp;Guan Fang","doi":"10.1007/s10904-024-03378-9","DOIUrl":"10.1007/s10904-024-03378-9","url":null,"abstract":"<div><p>Breast cancer is a common and increasingly prevalent female tumor. Current treatments include surgery, radiation, and drug therapy, but these often result in high recurrence rates and significant side effects. Thus, developing new therapeutic drugs for breast cancer remains a clinical priority. We synthesized an intelligent drug delivery system, polyacrylamide-polypyrrole (PAM-PPy), through radical copolymerization and combined it with CP1@1 to construct a light and heat-responsive drug delivery platform. The synthesized PAM-PPy@CP1@1 was characterized using Fourier Transform Infrared Spectroscopy (FT-IR), Scanning Electron Microscopy (FESEM), and Thermogravimetric Analysis (TG). This designed system was used to load the newly synthesized compound 1. When compound 1 was encapsulated in PAM-PPy@CP1, its cumulative release reached 67.01% after 6 h of near-infrared (NIR) irradiation at pH 7.4. During the controlled release of compound 1, PAM-PPy acted as a photothermal transducer, converting NIR radiation into heat while maintaining the temperature within its responsive range. Additionally, PAM-PPy functioned as a gatekeeper, preventing the burst release of compound 1. In vitro cell experiments assessed its inhibitory activity on the proliferation of breast cancer cells. Our study provides a platform for developing breast cancer therapeutics.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>A photothermal-responsive drug delivery platform, PAM-PPy@CP1@1, was constructed, and the inhibitory activity of the system on the proliferation of breast cancer cells was evaluated using in vitro cellular assays, providing a platform for the development of therapies for breast cancer.</p></div></div></figure></div></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2456 - 2465"},"PeriodicalIF":3.9,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of Bio-Active Compounds and Biochemical Characterization of Green Synthesized of Silver Nanoparticles (AgNPs) against Selected Uropathogenic Antimicrobial Activity","authors":"Azhagu Madhavan Sivalingam,&nbsp;Arjun Pandian,&nbsp;G. S. R. Kedari,&nbsp;Vinay Kumar","doi":"10.1007/s10904-024-03433-5","DOIUrl":"10.1007/s10904-024-03433-5","url":null,"abstract":"<div><p>This study focuses on enhancing the biological activity of silver nanoparticles (AgNPs) synthesized through environmentally friendly methods. It emphasizes the importance of such approaches in nanoparticle synthesis, particularly for their potential antimicrobial applications. The research specifically investigates AgNPs synthesized from <i>Pedalium murex</i> ethanolic leaf extract. Extensive characterization techniques are employed to analyze the properties of the synthesized (AgNPs). The results reveal high physicochemical parameters of the ethanolic extract, with significant total phenol content (TPC) observed. GC‒MS analysis identifies 20 bioactive compounds, including phenol and 3,5-bis (1,1-dimethyl ethyl), which exhibit biological activity against antibacterial agents. These techniques include Ultraviolet-visible spectroscopy (UV‒Vis). The synthesis of PM-AgNPs is confirmed through UV absorption, displaying a distinct band at 437 nm indicative of surface plasmon resonance (SPR). Fourier Transform Infrared Spectroscopy (FT-IR) identifies active functional groups present in active compounds, such as alcohol or polysaccharide O-H at 3394 cm^-1. Dynamic Light Scattering (DLS) demonstrates nanoscale dimensions of the AgNPs. Scanning Electron Microscopy (SEM) shows spherical nanoparticles synthesized at 11 nm, while Transmission Electron Microscopy (TEM) reveals both spherical and rectangular shapes (20–50 nm). X-ray diffraction (XRD) patterns confirm the face-centered cubic (FCC) structure of the synthesized AgNPs. Energy Dispersive X-Ray (EDX) analysis indicates thermally stable and pure crystallites. Atomic Force Microscopy (AFM) analysis underscores a well-defined nanostructure. In antimicrobial testing, the synthesized nanoparticles exhibit significant activity against <i>Staphylococcus aureus</i> (18.0 ± 0.05 mm) and antifungal activity against <i>Fusarium graminearum</i> (11.0 ± 0.01 mm) at a concentration of 80 µg/mL. This research highlights the potential of <i>PM</i>-AgNPs as potent antimicrobial agents with promising applications in pharmaceuticals.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2904 - 2920"},"PeriodicalIF":3.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancement of Curie Temperature and Photoluminescent Properties of Ho1.98Sm0.02Sn2O7 and Ho1.90Er0.10Sn2O7 Smart Materials","authors":"Esra ÖZTÜRK,&nbsp;Nilgun Kalaycioglu Ozpozan,&nbsp;Volkan Kalem","doi":"10.1007/s10904-024-03424-6","DOIUrl":"10.1007/s10904-024-03424-6","url":null,"abstract":"<div><p>Ho₂Sn₂O₇ powders doped with Er³⁺ and Sm³⁺ were directly synthesized using a solid state reaction method. Ho_1.98Sm_0.02Sn₂O₇ and Ho_1.90Er_0.10Sn₂O₇ were investigated using a TG/DTA thermal analysis system, scanning electron microscope (SEM), photoluminescence spectrophotometer (PL), X ray diffractometer (XRD), d33-meter and LCR-meter. As a result of the analyses, the thermal behaviour, crystal system, morphological structure, photoluminescence properties, elemental analysis, dielectric constant, piezoelectric properties and loss tangent of Ho_1.98Sm_0.02Sn₂O₇ and Ho_1.90Er_0.10Sn₂O₇ were obtained and discussed. According to XRD, the unit cell parameters for single-phase pyrochlores with a cubic crystal system are a = b = c = 10.374 Å and α = β = γ = 90°. The XRD patterns demonstrate that neither the type nor the amount of doping ion alters the unit cell parameter. The SEM images of Ho_1.98Sm_0.02Sn₂O₇ and Ho_1.90Er_0.10Sn₂O₇ reveal a regular morphology, with an average sample size ranging from 0.2 to 0.9 μm. The EDX analysis confirm the absence of impurity elements and showing that the theoretical and experimental element ratios are consistent with EDX analysis expectations. The emission spectrum of Ho_1.98Sm_0.02Sn₂O₇ and Ho_1.90Er_0.10Sn₂O₇ were shown typical transitions of Sm³⁺ and Er³⁺, respectively. Ho₂Sn₂O₇ doped with Sm³⁺ was found to yield a high dielectric constant (73.93), a high piezoelectric charge constant (0.75 pC/N), and a higher Curie temperature (772 °C). This suggests that Sm³⁺ ions enhance the Curie temperature and piezoelectric properties when introduced into the Ho₂Sn₂O₇ host crystal. The results indicate that Ho_1.98Sm_0.02Sn₂O₇ and Ho_1.90Er_0.10Sn₂O₇ are smart materials with multi-functional which have both piezoelectric properties and photoluminescent properties.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2776 - 2782"},"PeriodicalIF":3.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polymeric Matrix of Modified Chitosan with Algae and Coal Fly Ash for a Toxic Cationic Dye Removal: Multivariable Optimization by Box-Behnken Design","authors":"RuiHong Wu,&nbsp;Elmira Kashi,&nbsp;Ali H. Jawad,&nbsp;Salis Awal Musa,&nbsp;Zeid A. ALOthman,&nbsp;Lee D. Wilson","doi":"10.1007/s10904-024-03241-x","DOIUrl":"10.1007/s10904-024-03241-x","url":null,"abstract":"<div><p>Herein, a composite adsorbent of chitosan/algae/coal fly ash (CS/Alg/FA) was synthesized to be an effective and renewable adsorbent for the removal of cationic dye (methyl violet 2B dye: MV2B) from synthetic wastewater. The physicochemical characteristics of CS/Alg/FA were assessed utilizing various analytical techniques, such as XRD, BET, FTIR, pH_pzc, and SEM–EDX. The optimization of key adsorption variables [A: CS/Alg/FA dosage (0.02–0.1 g/100 mL), B: solution pH (4–10); C: contact time (20–180 min)] was carried out using the Box-Behnken design (BBD). Based on the BBD model, the optimal removal of MV 2B (78.4%) was achieved by employing a dosage of 0.1 g of CS/Alg/FA at a pH of 10 and a contact time of 100 min. The Langmuir isotherm model (coefficient of determination <i>R</i>^<i>2</i> = 0.94) provided a good fit for the empirical data, and the pseudo-second-order model accurately described the kinetic data. The maximum adsorption capacity (<i>q</i>_max) of CS/Alg/FA for MV2B was determined to be 63.4 mg/g at 25 ℃. The possible adsorption mechanism of MV 2B can be assigned to electrostatic attractions along with n−π, and H-bonding interactions. Thus, this comprehensive study underscores the potential of CS/Alg/FA as a preferable adsorbent for the removal of cationic organic dyes from industrial wastewater.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2300 - 2314"},"PeriodicalIF":3.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced Efficiency of Novel Green and Urea Mediated CuCo2O4 Nanocomposites for Acetaminophen Drug Loading, Accessible Catalytic Reduction of Nitro Compounds and Adsorption of Pesticides","authors":"J. Hemalatha,&nbsp;I. Prabha,&nbsp;R. Dhanush Kumar,&nbsp;J. J Umashankar,&nbsp;C. Senthamil,&nbsp;K. Preethi,&nbsp;S. Vijayakumar","doi":"10.1007/s10904-024-03429-1","DOIUrl":"10.1007/s10904-024-03429-1","url":null,"abstract":"<div><p>Researchers are focussing on creating sustainable environment by reducing the production and consumption of materials. The catalysis is not an exception, so there is always need for a catalyst that can perform multiple applications. Here, <i>(Carica Papaya)</i> and urea mediated CuCo₂O₄ nanocomposite was synthesized using simple co-precipitation method to perform drug loading, reduction of nitrocompounds and adsorption of pesticides. The prepared plant mediated CuCo₂O₄ (CCP) and urea mediated CuCo₂O₄ (CCU) was characterized using analytical techniques like XRD, UV-Vis, FT-IR, SEM-EDAX, TEM and DLS studies etc. The XRD patterns of CCP and CCU were indexed to the cubic spinal structure with the crystallite size of 11.9 and 27.6 nm by calculated using Scherrer’s equation. The typical FT-IR spectra of CCP and CCU composites exhibited two extremely strong vibration peaks at the range of 658 − 657 and 540–545 cm^− 1 due to the presence of the Co-O and Cu-O bond vibrations respectively. The band gap values (E_g) were found to be 1.3 and 1.5 eV and thermal stability of the prepared CuCo₂O₄ was analyzed using thermogravimetric studies. The SEM images confirmed the spherical morphology with the particle size of 89.9 and 107 nm respectively. The catalytic efficiency was analyzed by using acetaminophen as a sample drug for finding the loading efficiency of CCP and CCU found to be linear with time of loading had good R² values of 0.93 and 0.91 respectively. The drug loading efficiency or entrapment efficiency of the CCP and CCU was found to be 72.8 and 85.2% after 48 h of drug loading respectively. The catalyst weight dependant activity of CCP and CCU in the reduction of 2-nitrophenol and 2-nitroaniline effectively witnessed the ability of CCP and CCU over other catalysts. Furthermore, CCP and CCU were used as the adsorbents and made to adsorb the real time agricultural pesticide like pendimethalin for a period of 130 min and the obtained cumulative data suggested the superiority of CCP over CCU in the above catalytic applications.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2839 - 2860"},"PeriodicalIF":3.9,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Low-Cost Biosorbents Derived from Corn Husks for the Exclusion of Fe(II) and Cr(VI) Ions Undertaken Aqueous Media: Application for Wastewater Treatment","authors":"Radhika,&nbsp;Lalita Chopra,&nbsp;Kaushik Pal,&nbsp;Abdul Malik,&nbsp;Azmat Ali Khan","doi":"10.1007/s10904-024-03305-y","DOIUrl":"10.1007/s10904-024-03305-y","url":null,"abstract":"<div><p>Microcrystalline cellulose (MCC) fibres were extracted by the use of chlorine-free treatment from waste corn husk. MCC fibres were modified by periodate oxidation into 2,3-Dialdehyde cellulose (2,3-DAC) particles with 95.5% aldehyde content. Characterization was done by using FT-IR, XRD, SEM, EDX, HR-TEM and TGA analytical techniques. FT-IR analysis from corn husk to cellulose confirmed the loss of hemicellulose and lignin content due to the disappearance of the respective peaks and from cellulose to 2,3-DAC confirmed the oxidation due to the appearance of a peak at 1730 cm⁻¹ confirming the CHO group. XRD confirmed the more crystallinity of the 2,3-DAC over MCC fibres. SEM and TEM images clearly reflect the changes in the surface morphology after extraction of MCC fibres as well as after oxidation to 2,3-DAC powder. TGA analysis reported the increased thermal stability of 2,3-DAC particles over MCC fibres. Swelling capacity was estimated with respect to pH and temperature from 1 to 24 h contact time. Swelling of 2,3-DAC was almost 2 times more than MCC fibers with PSC = 842.8% in pH 9.2 solution at 25 ℃. Sorption investigations of Fe²⁺ and Cr⁶⁺ metal ions were carried out using both non-competitive as well as competitive approaches. The sorption was higher for Fe(II) by 2,3-DAC in non-competitive (80.2% R_e) as well as in competitive (71.6% R_e) approach as compared to the Cr(VI) ions. Different isotherms and kinetic models were applied to the sorption studies. The sorption follows a Pseudo-second-order kinetic model, Boyd’s kinetic model, Weber-Morris IPD model and Langmuir adsorption isotherm as best-fitting curves. Regenerated materials were employed for the repeated cycles to understand the efficiency and sustainability. Therefore, low-cost, environment-friendly biosorbents proved to be potential applicants for the removal of heavy metal ions from wastewater.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2352 - 2373"},"PeriodicalIF":3.9,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Screening the Structural, Tuning Band Gaps, Optical and Thermal Properties of Inorganic A2AgRhF6 (A = Na, Rb) Double Perovskites Halide Using DFT Calculations","authors":"Muhammad Jamil,&nbsp;Aparna Dixit,&nbsp;Junaid Munir,&nbsp;Mumtaz Manzoor,&nbsp;Abhinav Kumar,&nbsp;Dalia Fouad,&nbsp;Yedluri Anil Kumar,&nbsp;Ramesh Sharma","doi":"10.1007/s10904-024-03419-3","DOIUrl":"10.1007/s10904-024-03419-3","url":null,"abstract":"<div><p>A comprehensive analysis of halide double perovskites A₂AgRhF₆ (A = Na, Rb) compounds are performed under the DFT framework. The optimization curve, negative value of the formation energy, and tolerance factor of both A₂AgRhF₆ (A = Na, Rb) materials reveal stability. In electronic features including band dispersions and the density of states revealed the semiconductor response of both perovskites with an indirect bandgap. The bandgap values for Na₂AgRhF₆ are 2.59 eV and 2.71 eV for Rb₂AgRhF₆ respectively. The computed optical attributes display outstanding properties having highest absorption coefficient in visible and UV region, minimum loss function and low reflectivity. Additionally, thermoelectric response of both double perovskites is very impressive due to the high electrical conductivity, moderate thermal conductivity, accumulating the highest ZT_e values of 0.73 and 0.72 for Na₂AgRhF₆ and Rb₂AgRhF₆. The estimated results of F-based double halide perovskites nominate the potential applications in the optoelectronics and thermoelectric industry.</p></div>","PeriodicalId":639,"journal":{"name":"Journal of Inorganic and Organometallic Polymers and Materials","volume":"35 4","pages":"2734 - 2745"},"PeriodicalIF":3.9,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}