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Biologically synthesized Tellurium/Zirconium bimetallic nanoparticles for antibacterial and electrochemical collagen detection
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113606
M. Sindhu Devi , A. Muthuvel , S. Srinivasan , Nabil Al-Zaqri , Abeer A. AlObaid , Ismail Warad , Rafa Almeer
In the current exploration, photochemical stability and chemotherapeutic appraisal of Cinnamomum camphora (C.camphora) mediated bioactivity via Tellurium/Zirconium nanoparticles (TeZr BNPs) were conducted. The bioactive bimetallic nanoparticles (BNPs) exists a characterization by employing various studies such as UV, XRD, SEM-EDX, DLS, FTIR, HR-TEM, AFM, BET, and XPS analysis. Screening analysis of methanol soluble components in C. camphora extract identified the components in the plant product by HPLC mass spectroscopy. Furthermore, inhibition activities of TeZr BNPs against monoderm (+) and diderm (−) pathogens were tested by the agar contact method. The results of these studies showed the maximum hindrance zone with TeZr BNPs against three different microorganisms: Staphylococcus aureus (ATCC 6538), Escherichia coli (ATCC 8739), and Vibrio cholera (ATCC 14033) showing 28 %, 26 %, and 27 % inhibition, respectively, confirming the inhibitory potential of TeZr BNPs. The sequences of the inhibition zones were as follows: Staphylococcus aureus > Escherichia coli > Vibrio cholera. Further, the cytotoxic potential of C. camphora mediated TeZr BNPs was evaluated by anticancer, antioxidant, and anti-inflammatory activities. The photolysis steadiness of bioactive TeZr BNPs towards photodynamic therapy was confirmed by collagen degradation. This is the first description of bimetallic nanoparticles for degrading collagen. Hence, TeZr BNPs can be effectively applied in photodynamic therapy.
{"title":"Biologically synthesized Tellurium/Zirconium bimetallic nanoparticles for antibacterial and electrochemical collagen detection","authors":"M. Sindhu Devi ,&nbsp;A. Muthuvel ,&nbsp;S. Srinivasan ,&nbsp;Nabil Al-Zaqri ,&nbsp;Abeer A. AlObaid ,&nbsp;Ismail Warad ,&nbsp;Rafa Almeer","doi":"10.1016/j.inoche.2024.113606","DOIUrl":"10.1016/j.inoche.2024.113606","url":null,"abstract":"<div><div>In the current exploration, photochemical stability and chemotherapeutic appraisal of <em>Cinnamomum camphora</em> (<em>C.camphora</em>) mediated bioactivity via Tellurium/Zirconium nanoparticles (TeZr BNPs) were conducted. The bioactive bimetallic nanoparticles (BNPs) exists a characterization by employing various studies such as UV, XRD, SEM-EDX, DLS, FTIR, HR-TEM, AFM, BET, and XPS analysis. Screening analysis of methanol soluble components in <em>C. camphora</em> <!-->extract identified the components in the plant product by HPLC mass spectroscopy. Furthermore, inhibition activities of TeZr BNPs against monoderm (+) and diderm (−) pathogens were tested by the agar contact method. The results of these studies showed the maximum hindrance zone with TeZr BNPs against three different microorganisms:<!--> <em>Staphylococcus aureus</em> (ATCC<!--> <!-->6538), <em>Escherichia coli</em> (ATCC 8739), and <em>Vibrio cholera</em> <!-->(ATCC 14033) showing 28 %, 26 %, and 27 % inhibition, respectively, confirming the inhibitory potential of TeZr BNPs. The sequences of the inhibition zones were as follows: <em>Staphylococcus aureus</em> &gt; <em>Escherichia coli</em> &gt; <em>Vibrio cholera</em>. Further, the cytotoxic potential of <em>C. camphora</em> mediated TeZr BNPs was evaluated by anticancer, antioxidant, and anti-inflammatory activities. The photolysis steadiness of bioactive TeZr BNPs towards photodynamic therapy was confirmed by collagen degradation. This is the first description of bimetallic nanoparticles for degrading collagen. Hence, TeZr BNPs can be effectively applied in photodynamic therapy.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113606"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102966","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}
引用次数: 0
Novel organoselenides as efficient corrosion inhibitors for N80 steel in a 3.5 wt% sodium chloride solution
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113632
Saad Shaaban , Kamal Shalabi , Tarek A. Yousef , Ghayah M. Alsulaim , Mohamed Alaasar , Ahmed M. Abu-Dief , Ahmed S.M. Al-Janabi
New organoselenium-containing Schiff base (MSeOH) and its Ni (II) chelate [Ni(MSeO)2(H2O)2] were synthesized and characterized. Their corrosion inhibition was investigated toward N80 steel in a 3.5 % NaCl solution. Their corrosion inhibition mechanism was investigated for the N80 steel in 3.5 % NaCl solution using different techniques, including electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), potentiodynamic polarization (PDP), density functional theory (DFT), and Monte Carlo (MC) simulations. The electrochemical studies demonstrated high protection efficiencies (up to 96.9 %) of 8.0 × 10−5 M concentration. The [Ni(MSeO)2(H2O)2] exhibited superior corrosion inhibition efficiency compared to the ligand MSeOH. The additives on the corrosion solution manifested a significant influence, particularly on the anodic (βa) and cathodic (βc) Tafel slopes, proposing a mixed-type inhibition, reducing the anodic and cathodic reactions. The spontaneous adsorption of MSeOH and [Ni(MSeO)2(H2O)2] on the steel’s surface, conforming to the Langmuir adsorption isotherm, was substantiated by the increase in charge transfer resistance (Rct) and the decrease in the constant phase element (Y0) admittance values, evidencing the adsorption of MSeOH and [Ni(MSeO)2(H2O)2] molecules on the N80 steel surface, which was further corroborated by XPS and |SEM analysis. Moreover, DFT results showed that the [Ni(MSeO)2(H2O)2] complex has a high HOMO energy level, thus indicating high inhibition efficiency. On the other hand, a low LUMO energy level suggested the ease of electron acceptance by the vacant d-orbitals of the Ni(II) metal, promoting the formation of covalent bonds between the organic molecule and the metal center. Moreover, MC simulations substantiated the appropriate alignment of the inhibitor molecules in a flat orientation on the steel surface, thereby enhancing optimal surface coverage.
{"title":"Novel organoselenides as efficient corrosion inhibitors for N80 steel in a 3.5 wt% sodium chloride solution","authors":"Saad Shaaban ,&nbsp;Kamal Shalabi ,&nbsp;Tarek A. Yousef ,&nbsp;Ghayah M. Alsulaim ,&nbsp;Mohamed Alaasar ,&nbsp;Ahmed M. Abu-Dief ,&nbsp;Ahmed S.M. Al-Janabi","doi":"10.1016/j.inoche.2024.113632","DOIUrl":"10.1016/j.inoche.2024.113632","url":null,"abstract":"<div><div>New organoselenium-containing Schiff base (<strong>MSeOH</strong>) and its Ni (II) chelate <strong>[Ni(MSeO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</strong> were synthesized and characterized. Their corrosion inhibition was investigated toward N80 steel in a 3.5 % NaCl solution. Their corrosion inhibition mechanism was investigated for the N80 steel in 3.5 % NaCl solution using different techniques, including electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), potentiodynamic polarization (PDP), density functional theory (DFT), and Monte Carlo (MC) simulations. The electrochemical studies demonstrated high protection efficiencies (up to 96.9 %) of 8.0 × 10<sup>−5</sup> M concentration. The <strong>[Ni(MSeO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</strong> exhibited superior corrosion inhibition efficiency compared to the ligand <strong>MSeOH</strong>. The additives on the corrosion solution manifested a significant influence, particularly on the anodic (βa) and cathodic (βc) Tafel slopes, proposing a mixed-type inhibition, reducing the anodic and cathodic reactions. The spontaneous adsorption of <strong>MSeOH</strong> and <strong>[Ni(MSeO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</strong> on the steel’s surface, conforming to the Langmuir adsorption isotherm, was substantiated by the increase in charge transfer resistance (R<sub>ct</sub>) and the decrease in the constant phase element (Y<sub>0</sub>) admittance values, evidencing the adsorption of <strong>MSeOH</strong> and <strong>[Ni(MSeO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</strong> molecules on the N80 steel surface, which was further corroborated by XPS and |SEM analysis. Moreover, DFT results showed that the <strong>[Ni(MSeO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</strong> complex has a high HOMO energy level, thus indicating high inhibition efficiency. On the other hand, a low LUMO energy level suggested the ease of electron acceptance by the vacant d-orbitals of the Ni(II) metal, promoting the formation of covalent bonds between the organic molecule and the metal center. Moreover, MC simulations substantiated the appropriate alignment of the inhibitor molecules in a flat orientation on the steel surface, thereby enhancing optimal surface coverage.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113632"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102969","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}
引用次数: 0
Novel g-C3N4@CaCO3 nanocomposite for excellent methylene blue adsorption and photocatalytic removal under visible light irradiation
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113685
Gang Huang, Danlin Zeng, Mengcheng Wei, Yang Chen, Aoxue Ma
It is well known that the resource utilization of renewable biomass waste is one of the feasible strategies to reduce environmental pollutants. In this study, a novel composite photocatalyst (g-C3N4@CaCO3) was successfully designed and synthesized using a simple calcination method. The precursors of the composite were mainly melamine and waste eggshells. The prepared g-C3N4@CaCO3 composite catalyst showed excellent photocatalytic degradation activity for methylene blue (MB) in wastewater. Compared with pure g-C3N4, the g-C3N4@CaCO3 composite photocatalysts exhibited remarkably enhanced adsorption and catalytic degradation performance for MB removal under visible light irradiation. The improved catalytic performance of the g-C3N4@CaCO3 photocatalyst can be attributed to alterations in the morphology and the formation of cyano defects, which facilitate the absorption and utilization of visible light, as well as the separation of photogenerated carriers. This work provides a strategy to develop a novel g-C3N4@CaCO3 photocatalyst with enhanced performance for efficient treatment of dyeing wastewater.
{"title":"Novel g-C3N4@CaCO3 nanocomposite for excellent methylene blue adsorption and photocatalytic removal under visible light irradiation","authors":"Gang Huang,&nbsp;Danlin Zeng,&nbsp;Mengcheng Wei,&nbsp;Yang Chen,&nbsp;Aoxue Ma","doi":"10.1016/j.inoche.2024.113685","DOIUrl":"10.1016/j.inoche.2024.113685","url":null,"abstract":"<div><div>It is well known that the resource utilization of renewable biomass waste is one of the feasible strategies to reduce environmental pollutants. In this study, a novel composite photocatalyst (g-C<sub>3</sub>N<sub>4</sub>@CaCO<sub>3</sub>) was successfully designed and synthesized using a simple calcination method. The precursors of the composite were mainly melamine and waste eggshells. The prepared g-C<sub>3</sub>N<sub>4</sub>@CaCO<sub>3</sub> composite catalyst showed excellent photocatalytic degradation activity for methylene blue (MB) in wastewater. Compared with pure g-C<sub>3</sub>N<sub>4</sub>, the g-C<sub>3</sub>N<sub>4</sub>@CaCO<sub>3</sub> composite photocatalysts exhibited remarkably enhanced adsorption and catalytic degradation performance for MB removal under visible light irradiation. The improved catalytic performance of the g-C<sub>3</sub>N<sub>4</sub>@CaCO<sub>3</sub> photocatalyst can be attributed to alterations in the morphology and the formation of cyano defects, which facilitate the absorption and utilization of visible light, as well as the separation of photogenerated carriers. This work provides a strategy to develop a novel g-C<sub>3</sub>N<sub>4</sub>@CaCO<sub>3</sub> photocatalyst with enhanced performance for efficient treatment of dyeing wastewater.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113685"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103169","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}
引用次数: 0
Recent developments strategies in high entropy modified lithium-rich layered oxides cathode for lithium-ion batteries
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113721
Samuel O. Ajayi , Tarekegn H. Dolla , Ismaila T. Bello , Xinying Liu , Peter R. Makgwane , Mkhulu K. Mathe , Cyril O. Ehi-Eromosele
Lithium-rich layered oxides (LRLOs) are of intense interest and are regarded as one of the best cathodes for next-generation Lithium-Ion batteries (LIBs). LRLOs are favored due to the low cost of production, high energy densities, voltage, and specific capacity. LRLOs suffer from irreversible capacity loss, poor rate capability, voltage, and capacity fade, which in turn limit their full practical applications and commercialization. Therefore, strategies such as surface coating, surface treatment, composition optimization, and elemental doping have been explored to enhance the structural and electrochemical performance of LRLO. Nevertheless, high entropy (multiple elements) doping has proven to be a very effective strategy due to its simplicity and expansion of LRLO lattice interplanar spacing without damaging their original structure. It is worth noting that there has been little research work on high entropy strategies for modifying LRLO cathode. Thus, the aim of this review is current update on high entropy strategies for modifying LRLO cathode materials.
{"title":"Recent developments strategies in high entropy modified lithium-rich layered oxides cathode for lithium-ion batteries","authors":"Samuel O. Ajayi ,&nbsp;Tarekegn H. Dolla ,&nbsp;Ismaila T. Bello ,&nbsp;Xinying Liu ,&nbsp;Peter R. Makgwane ,&nbsp;Mkhulu K. Mathe ,&nbsp;Cyril O. Ehi-Eromosele","doi":"10.1016/j.inoche.2024.113721","DOIUrl":"10.1016/j.inoche.2024.113721","url":null,"abstract":"<div><div>Lithium-rich layered oxides (LRLOs) are of intense interest and are regarded as one of the best cathodes for next-generation Lithium-Ion batteries (LIBs). LRLOs are favored due to the low cost of production, high energy densities, voltage, and specific capacity. LRLOs suffer from irreversible capacity loss, poor rate capability, voltage, and capacity fade, which in turn limit their full practical applications and commercialization. Therefore, strategies such as surface coating, surface treatment, composition optimization, and elemental doping have been explored to enhance the structural and electrochemical performance of LRLO. Nevertheless, high entropy (multiple elements) doping has proven to be a very effective strategy due to its simplicity and expansion of LRLO lattice interplanar spacing without damaging their original structure. It is worth noting that there has been little research work on high entropy strategies for modifying LRLO cathode. Thus, the aim of this review is current update on high entropy strategies for modifying LRLO cathode materials.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113721"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analyzation of photocatalytic degradation efficiency of an Ag-doped α-Zn2V2O7 nanoparticle on methylene blue dye in sunlight exposure and its potential antimicrobial activities
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113759
R. Raman , D. Balasubramanian , K. Mohanraj , N. Jhansi
Ag (2 wt%, 4 wt%, and 6 wt%) doped α-Zn2V2O7 were synthesized through the hydrothermal method. The impact of different doping percentages on their photocatalytic properties and antibacterial activities was investigated, the sample doped at 6 wt% of Ag exhibited the most superior photocatalytic and antibacterial activities. X-ray diffraction analysis of the doped nanoparticles at different percentages confirmed the monoclinic structure of the synthesized Ag doped α-Zn2V2O7 nanoparticles. The average crystallite size, calculated using Scherrer’s formula, was observed to increase with the rise in doping percentage. The morphological properties of the nanoparticles were analyzed through SEM analysis. EDAX spectra confirmed the presence of Ag, Zn, V, and O in the prepared nanoparticles. XPS survey of the prepared sample revealed the presence of Ag, Zn, O, and V without any impurities, except for a small amount of absorbed carbon, and the spectra also confirmed that the sample consisted of a phase of Ag-doped Zn2V2O7. The reduction of band gap values with the increase in doping percentage was identified through UV–visible spectrophotometer investigation. The broad peak of PL emission spectra in the green wavelength region suggested the creation of deep energy levels inside the band gap of the nanoparticles. The photocatalytic activity of the synthesized sample in the degradation of methylene blue dye under sunlight was studied using a UV–visible spectrometer. The efficiency of degradation improved with an increase in doping concentration, achieving peak efficiency in the sample doped at 6 wt%. Values rose from 90.34 for 2 wt% Ag to 99.77 for 6 wt% Ag. The antimicrobial activity of the synthesized chemical compounds was tested with strains Gram-negative against the bacterial strain of Escherichia coli, resulting in the formation of zones of inhibition. The inhibition zones for bacteria associated with Ag-doped α-Zn2V2O7 increased from 5 mm at 2 wt% Ag to 23 mm at 6 wt% Ag. The 6 wt% nanoparticles displayed efficient antimicrobial properties compared to others, attributed to their exceptionally large surface area, which allows for better contact with the cell walls of microorganisms.
{"title":"Analyzation of photocatalytic degradation efficiency of an Ag-doped α-Zn2V2O7 nanoparticle on methylene blue dye in sunlight exposure and its potential antimicrobial activities","authors":"R. Raman ,&nbsp;D. Balasubramanian ,&nbsp;K. Mohanraj ,&nbsp;N. Jhansi","doi":"10.1016/j.inoche.2024.113759","DOIUrl":"10.1016/j.inoche.2024.113759","url":null,"abstract":"<div><div>Ag (2 wt%, 4 wt%, and 6 wt%) doped α-Zn<sub>2</sub>V<sub>2</sub>O<sub>7</sub> were synthesized through the hydrothermal method. The impact of different doping percentages on their photocatalytic properties and antibacterial activities was investigated, the sample doped at 6 wt% of Ag exhibited the most superior photocatalytic and antibacterial activities. X-ray diffraction analysis of the doped nanoparticles at different percentages confirmed the monoclinic structure of the synthesized Ag doped α-Zn<sub>2</sub>V<sub>2</sub>O<sub>7</sub> nanoparticles. The average crystallite size, calculated using Scherrer’s formula, was observed to increase with the rise in doping percentage. The morphological properties of the nanoparticles were analyzed through SEM analysis. EDAX spectra confirmed the presence of Ag, Zn, V, and O in the prepared nanoparticles. XPS survey of the prepared sample revealed the presence of Ag, Zn, O, and V without any impurities, except for a small amount of absorbed carbon, and the spectra also confirmed that the sample consisted of a phase of Ag-doped Zn<sub>2</sub>V<sub>2</sub>O<sub>7</sub>. The reduction of band gap values with the increase in doping percentage was identified through UV–visible spectrophotometer investigation. The broad peak of PL emission spectra in the green wavelength region suggested the creation of deep energy levels inside the band gap of the nanoparticles. The photocatalytic activity of the synthesized sample in the degradation of methylene blue dye under sunlight was studied using a UV–visible spectrometer. The efficiency of degradation improved with an increase in doping concentration, achieving peak efficiency in the sample doped at 6 wt%. Values rose from 90.34 for 2 wt% Ag to 99.77 for 6 wt% Ag. The antimicrobial activity of the synthesized chemical compounds was tested with strains Gram-negative against the bacterial strain of Escherichia coli, resulting in the formation of zones of inhibition. The inhibition zones for bacteria associated with Ag-doped α-Zn<sub>2</sub>V<sub>2</sub>O<sub>7</sub> increased from 5 mm at 2 wt% Ag to 23 mm at 6 wt% Ag. The 6 wt% nanoparticles displayed efficient antimicrobial properties compared to others, attributed to their exceptionally large surface area, which allows for better contact with the cell walls of microorganisms.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113759"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103211","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}
引用次数: 0
Efficient removal of zinc ion pollution by carbon-based magnetic alloy: Experimental, theoretical modeling and DFT studies
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113735
Saeid Zarei , Hossein Raanaei , Vahid Mohammad-Hosseini , Saeed Kamali
In this study, we prepared a graphite-iron alloy using the mechanical alloying method for the adsorption of zinc ions. The resulting compounds were characterized using various techniques, including scanning electron microscopy, energy dispersive x-ray spectroscopy, x-ray diffraction, x-ray photoelectron spectroscopy, Fourier-transform infrared spectroscopy, and vibrating sample magnetometer. Experimental results confirmed effective zinc adsorption, with ten isotherm models evaluated; the Toth model provided the best fit, yielding a maximum adsorption capacity of 729.7 mg/g. We employed response surface methodology (RSM) and artificial neural network genetic algorithms (ANN-GA) to identify optimal conditions for the adsorption process of Zn (II), achieving maximum removal efficiencies of 72.5 % and 72.49 %, respectively. The optimal adsorption parameters were determined to be a pH of 2.5, a temperature of 56 °C, and a contact time of 47.5 min. Additionally, we investigated graphite and a graphite-iron alloy, along with their electronic interactions with zinc (II) using density functional theory (DFT). This approach assessed electron donating and accepting capabilities, natural bond orbital analysis, and various thermodynamic and kinetic processes, with simulation results aligning well with experimental data.
{"title":"Efficient removal of zinc ion pollution by carbon-based magnetic alloy: Experimental, theoretical modeling and DFT studies","authors":"Saeid Zarei ,&nbsp;Hossein Raanaei ,&nbsp;Vahid Mohammad-Hosseini ,&nbsp;Saeed Kamali","doi":"10.1016/j.inoche.2024.113735","DOIUrl":"10.1016/j.inoche.2024.113735","url":null,"abstract":"<div><div>In this study, we prepared a graphite-iron alloy using the mechanical alloying method for the adsorption of zinc ions. The resulting compounds were characterized using various techniques, including scanning electron microscopy, energy dispersive x-ray spectroscopy, x-ray diffraction, x-ray photoelectron spectroscopy, Fourier-transform infrared spectroscopy, and vibrating sample magnetometer. Experimental results confirmed effective zinc adsorption, with ten isotherm models evaluated; the Toth model provided the best fit, yielding a maximum adsorption capacity of 729.7 mg/g. We employed response surface methodology (RSM) and artificial neural network genetic algorithms (ANN-GA) to identify optimal conditions for the adsorption process of Zn (II), achieving maximum removal efficiencies of 72.5 % and 72.49 %, respectively. The optimal adsorption parameters were determined to be a pH of 2.5, a temperature of 56 °C, and a contact time of 47.5 min. Additionally, we investigated graphite and a graphite-iron alloy, along with their electronic interactions with zinc (II) using density functional theory (DFT). This approach assessed electron donating and accepting capabilities, natural bond orbital analysis, and various thermodynamic and kinetic processes, with simulation results aligning well with experimental data.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113735"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103269","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}
引用次数: 0
Facile synthesis of highly active and reusable NiO/montmorillonite photocatalyst for tetracycline removal by photocatalytic oxidation
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113731
Is Fatimah , Yusril Syu’aib , Galih Dwiki Ramanda , Fethi Kooli , Suresh Sagadevan , Won-Chun Oh
Nanocomposite of dispersed nickel oxide nanoparticles into montmorillonite (NiO/Mt) was synthesized by using hydrothermal impregnation method. The obtained solids were characterized by x-ray diffraction (XRD), scanning electron microscope-energy dispersive X-ray fluorescence (SEM-EDX), transmission electron microscope (TEM), C-ray photoelectron spectroscopy (XPS), gas sorption analyzer using N2 adsorption–desorption at 77 K and UV–Visible diffuse reflectance spectrophotometry (UV-DRS). The prepared material was evaluated as photocatalyst for tetracycline (TC) removal photocatalytic oxidation with activated hydrogen peroxide as the oxidizing agent. The kinetics of TC removal over varied methods, influence of the amount of H2O2, and study on photocatalytic mechanism by evaluating effect of scavenger were investigated. Physicochemical characterization recognized that nickel oxide nanoparticles with particles’ size ranging from 10 to 20 nm was homogeneously dispersed in the montmorillonite support as expressed by SEM, TEM and XPS analysis. Small amount of dispersed Ni (4.55 % wt.) does not show the significant improvement to the specific surface area and porosity of the montmorillonite but expresses the band gap energy of 3.5 eV which supports the activity as photocatalyst. It is found that the nanocomposite has excellent photocatalytic activity in TC removal by the removal efficiency of about 94.2 % and 75.5 % under UV and visible light exposure, respectively. The nanocomposite demonstrated recyclability and reusability with no-significant altered activity until 5th use. This work could not only provide a facile method to fabricate low-cost photocatalyst but also contribute to the design for photocatalyst application in pharmaceuticals-contaminated water.
{"title":"Facile synthesis of highly active and reusable NiO/montmorillonite photocatalyst for tetracycline removal by photocatalytic oxidation","authors":"Is Fatimah ,&nbsp;Yusril Syu’aib ,&nbsp;Galih Dwiki Ramanda ,&nbsp;Fethi Kooli ,&nbsp;Suresh Sagadevan ,&nbsp;Won-Chun Oh","doi":"10.1016/j.inoche.2024.113731","DOIUrl":"10.1016/j.inoche.2024.113731","url":null,"abstract":"<div><div>Nanocomposite of dispersed nickel oxide nanoparticles into montmorillonite (NiO/Mt) was synthesized by using hydrothermal impregnation method. The obtained solids were characterized by x-ray diffraction (XRD), scanning electron microscope-energy dispersive X-ray fluorescence (SEM-EDX), transmission electron microscope (TEM), C-ray photoelectron spectroscopy (XPS), gas sorption analyzer using N<sub>2</sub> adsorption–desorption at 77 K and UV–Visible diffuse reflectance spectrophotometry (UV-DRS). The prepared material was evaluated as photocatalyst for tetracycline (TC) removal photocatalytic oxidation with activated hydrogen peroxide as the oxidizing agent. The kinetics of TC removal over varied methods, influence of the amount of H<sub>2</sub>O<sub>2</sub>, and study on photocatalytic mechanism by evaluating effect of scavenger were investigated. Physicochemical characterization recognized that nickel oxide nanoparticles with particles’ size ranging from 10 to 20 nm was homogeneously dispersed in the montmorillonite support as expressed by SEM, TEM and XPS analysis. Small amount of dispersed Ni (4.55 % wt.) does not show the significant improvement to the specific surface area and porosity of the montmorillonite but expresses the band gap energy of 3.5 eV which supports the activity as photocatalyst. It is found that the nanocomposite has excellent photocatalytic activity in TC removal by the removal efficiency of about 94.2 % and 75.5 % under UV and visible light exposure, respectively. The nanocomposite demonstrated recyclability and reusability with no-significant altered activity until 5th use. This work could not only provide a facile method to fabricate low-cost photocatalyst but also contribute to the design for photocatalyst application in pharmaceuticals-contaminated water.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113731"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103273","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}
引用次数: 0
Scrutinizing the Electronic structure, Magnetic, Mechanical, Thermodynamic, Optical and Thermoelectric Properties of Lead-free Hafnium-based Hf2VX (X = Si, Sn) full Heusler alloys
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113466
Shruti Sharma, Dinesh C. Gupta
The study of energy harvesting and thermoelectric materials has drawn more attention in the last several years. The great thermal stability of these materials is advantageous for thermoelectric devices, in addition to their structural capacity for showcasing and incorporating diverse novel concepts to augment the thermoelectric figure of merit. In the current study, we have predicted the physical properties of Hf2VX (X = Si, Sn) Heuslers using density functional theory in conjunction with the Boltzmann transport scheme. The strength and ductility of these materials are ascertained by simulating elastic characteristics The exchange correlation potential is handled via the modified Becke–Johnson potential (mBJ) and the generalized gradient approximation of Perdew, Burke, and Ernzerhof (GGA-PBE). Near the Fermi level, the band profiles for Hf2VSi and Hf2VSn Heuslers were found to be n-type indirect band-gap respectively. The thermodynamic stability of these materials is approved by the formation and cohesive energy. The relationships between different transport parameters are predicted using the band occupation and density of states in the post DFT treatment. Slack’s equation has identified the most significant lattice component of heat conductivity with great precision. These materials are likely to find use in the design of memory devices and future thermoelectric and energy harvesting materials due to their half-metallic nature and efficient thermoelectric parameters, such as electrical conductivity, Seebeck coefficient, thermal conductivity, power factor, and ZT.
{"title":"Scrutinizing the Electronic structure, Magnetic, Mechanical, Thermodynamic, Optical and Thermoelectric Properties of Lead-free Hafnium-based Hf2VX (X = Si, Sn) full Heusler alloys","authors":"Shruti Sharma,&nbsp;Dinesh C. Gupta","doi":"10.1016/j.inoche.2024.113466","DOIUrl":"10.1016/j.inoche.2024.113466","url":null,"abstract":"<div><div>The study of energy harvesting and thermoelectric materials has drawn more attention in the last several years. The great thermal stability of these materials is advantageous for thermoelectric devices, in addition to their structural capacity for showcasing and incorporating diverse novel concepts to augment the thermoelectric figure of merit. In the current study, we have predicted the physical properties of Hf<sub>2</sub>VX (X = Si, Sn) Heuslers using density functional theory in conjunction with the Boltzmann transport scheme. The strength and ductility of these materials are ascertained by simulating elastic characteristics The exchange correlation potential is handled via the modified Becke–Johnson potential (mBJ) and the generalized gradient approximation of Perdew, Burke, and Ernzerhof (GGA-PBE). Near the Fermi level, the band profiles for Hf<sub>2</sub>VSi and Hf<sub>2</sub>VSn Heuslers were found to be n-type indirect band-gap respectively. The thermodynamic stability of these materials is approved by the formation and cohesive energy. The relationships between different transport parameters are predicted using the band occupation and density of states in the post DFT treatment. Slack’s equation has identified the most significant lattice component of heat conductivity with great precision. These materials are likely to find use in the design of memory devices and future thermoelectric and energy harvesting materials due to their half-metallic nature and efficient thermoelectric parameters, such as electrical conductivity, Seebeck coefficient, thermal conductivity, power factor, and ZT.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113466"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143103548","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}
引用次数: 0
Spray-pyrolysis derived molybdenum-doped zinc oxide films: Insightful studies of multifaceted properties
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113795
Houssem Eddine El Yamine Sakhraoui , Khadidja Hadj Larbi , Ali Sadek Kadari , Meriem Lakhdari , Naima Maouche , Asma Nezzari , Imane Radja , Farid Habelhames , Abdelkader Nebatti Ech-Chergui , Bouhalouane Amrani
The current study explores the deposition of thin films of pure zinc oxide (ZnO) and molybdenum-doped zinc oxide (Mo:ZnO) using spray pyrolysis, with Mo doping concentrations of 3 %, 5 %, and 7 %. A comprehensive characterization was conducted employing Raman spectroscopy, energy dispersive X-ray (EDX) analysis, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), UV–visible spectroscopy, and electrochemical measurements. This multi-faceted approach aimed to investigate the structural, morphological, optical, and chemical composition of the films. Raman spectra were utilized to assess the structural properties, while EDX and XPS analyses confirmed the presence of Zn, O, and Mo in the synthesized samples, with XPS revealing Mo in the +6 oxidation state in Mo-doped ZnO films. Furthermore, UV–Vis absorption spectroscopy, analyzed via Tauc’s relationship, indicated an increase in the band gap from 3.28 eV to 3.35 eV with increasing Mo content. Photocurrent and Mott–Schottky measurements confirm the n-type character of all deposited films and were in good agreement. Analysis by means of cyclic voltammetry (CV), Electrochemical Impedance Spectroscopy (EIS) and galvanostatic charge–discharge (GCD) reveal an enhancement in specific capacity (SC) for Mo-doped ZnO compered to undoped ZnO with an increase with Mo concentrations. The highest SCs are obtained for 3 % Mo-ZnO film and were found equal to 37.02 and 113 F/g for v: 10 mV/s and IGCD: 0.6 A/g respectively.
{"title":"Spray-pyrolysis derived molybdenum-doped zinc oxide films: Insightful studies of multifaceted properties","authors":"Houssem Eddine El Yamine Sakhraoui ,&nbsp;Khadidja Hadj Larbi ,&nbsp;Ali Sadek Kadari ,&nbsp;Meriem Lakhdari ,&nbsp;Naima Maouche ,&nbsp;Asma Nezzari ,&nbsp;Imane Radja ,&nbsp;Farid Habelhames ,&nbsp;Abdelkader Nebatti Ech-Chergui ,&nbsp;Bouhalouane Amrani","doi":"10.1016/j.inoche.2024.113795","DOIUrl":"10.1016/j.inoche.2024.113795","url":null,"abstract":"<div><div>The current study explores the deposition of thin films of pure zinc oxide (ZnO) and molybdenum-doped zinc oxide (Mo:ZnO) using spray pyrolysis, with Mo doping concentrations of 3 %, 5 %, and 7 %. A comprehensive characterization was conducted employing Raman spectroscopy, energy dispersive X-ray (EDX) analysis, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), UV–visible spectroscopy, and electrochemical measurements. This multi-faceted approach aimed to investigate the structural, morphological, optical, and chemical composition of the films. Raman spectra were utilized to assess the structural properties, while EDX and XPS analyses confirmed the presence of Zn, O, and Mo in the synthesized samples, with XPS revealing Mo in the +6 oxidation state in Mo-doped ZnO films. Furthermore, UV–Vis absorption spectroscopy, analyzed via Tauc’s relationship, indicated an increase in the band gap from 3.28 eV to 3.35 eV with increasing Mo content. Photocurrent and Mott–Schottky measurements confirm the n-type character of all deposited films and were in good agreement. Analysis by means of cyclic voltammetry (CV), Electrochemical Impedance Spectroscopy (EIS) and galvanostatic charge–discharge (GCD) reveal an enhancement in specific capacity (SC) for Mo-doped ZnO compered to undoped ZnO with an increase with Mo concentrations. The highest SCs are obtained for 3 % Mo-ZnO film and were found equal to 37.02 and 113 F/g for <em>v</em>: 10 mV/s and I<sub>GCD</sub>: 0.6 A/g respectively.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113795"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143163778","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}
引用次数: 0
Insight into the enhanced organic pollutants via photo-Fenton of Fe3O4/MnO2 nanoreactor
IF 4.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-02-01 DOI: 10.1016/j.inoche.2024.113718
Fan Wu , Jingyi Wang , Lei Zhou , Haoning Yuan , Yuwei Pan , Jiangang Han , Weinan Xing , Guangyu Wu , Yudong Huang
Photo-Fenton technology constituted Fenton and photocatalysis reaction is a great potential in controlling organic pollutants. In this study, Fe3O4/MnO2 nanoreactor for the removal of tetracycline (TC) with high efficiency was prepared by a facile hydrothermal method. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterise the material composition and optical properties of the catalysts. Fe3O4/MnO2 (5 %) exhibited highest degradation rate of TC under UV lamp and C2H2O4, reaching 99.7 %. The optimal kinetic rate constant could reach 0.0831 min−1, which was 2.15 times higher than Fe3O4 (0.0387 min−1). Moreover, the TC degradation efficiency of the prepared photocatalysts was significantly improved by optimising the performance of the factors such as the dosage, the initial TC concentration and the pH value. The present work shows a potential strategy for the design of inexpensive and effective iron-based photocatalysts that can be used for Fenton catalysis removal of antibiotics in wastewater and other environmental applications.
{"title":"Insight into the enhanced organic pollutants via photo-Fenton of Fe3O4/MnO2 nanoreactor","authors":"Fan Wu ,&nbsp;Jingyi Wang ,&nbsp;Lei Zhou ,&nbsp;Haoning Yuan ,&nbsp;Yuwei Pan ,&nbsp;Jiangang Han ,&nbsp;Weinan Xing ,&nbsp;Guangyu Wu ,&nbsp;Yudong Huang","doi":"10.1016/j.inoche.2024.113718","DOIUrl":"10.1016/j.inoche.2024.113718","url":null,"abstract":"<div><div>Photo-Fenton technology constituted Fenton and photocatalysis reaction is a great potential in controlling organic pollutants. In this study, Fe<sub>3</sub>O<sub>4</sub>/MnO<sub>2</sub> nanoreactor for the removal of tetracycline (TC) with high efficiency was prepared by a facile hydrothermal method. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterise the material composition and optical properties of the catalysts. Fe<sub>3</sub>O<sub>4</sub>/MnO<sub>2</sub> (5 %) exhibited highest degradation rate of TC under UV lamp and C<sub>2</sub>H<sub>2</sub>O<sub>4</sub>, reaching 99.7 %. The optimal kinetic rate constant could reach 0.0831 min<sup>−1</sup>, which was 2.15 times higher than Fe<sub>3</sub>O<sub>4</sub> (0.0387 min<sup>−1</sup>). Moreover, the TC degradation efficiency of the prepared photocatalysts was significantly improved by optimising the performance of the factors such as the dosage, the initial TC concentration and the pH value. The present work shows a potential strategy for the design of inexpensive and effective iron-based photocatalysts that can be used for Fenton catalysis removal of antibiotics in wastewater and other environmental applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"172 ","pages":"Article 113718"},"PeriodicalIF":4.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143164042","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}
引用次数: 0
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Inorganic Chemistry Communications
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