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Study on interaction mechanism of sulfisoxazole on rutile-TiO2 (110) surface using quantum chemical method 量子化学方法研究磺胺恶唑与金红石- tio2(110)表面的相互作用机理
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-31 DOI: 10.51316/jca.2023.059
Tri Ngoc Nguyen, Trung Tien Nguyen
{"title":"Study on interaction mechanism of sulfisoxazole on rutile-TiO2 (110) surface using quantum chemical method","authors":"Tri Ngoc Nguyen, Trung Tien Nguyen","doi":"10.51316/jca.2023.059","DOIUrl":"https://doi.org/10.51316/jca.2023.059","url":null,"abstract":"Recently, investigations on the binding mechanism between organic molecules and material surfaces have been interests for scientists to have insights into surface phenomena, sensing performance and photocatalytic reactions. In the present work, we use density functional theory (DFT) computations including van der Waals (vdW) forces to investigate the interaction of sulfisoxazole (SFX) and the rutile-TiO2 (110) surface (r-TiO2). Results indicate that the adsorption process of SFX on r-TiO2 is regarded as chemisorption with an associated energy ca. -51.5 kcal.mol-1. The stable configurations are considerably contributed by Ti5f‧‧‧O electrostatic interactions. Besides, the hydrogen bonds of the N/C-H‧‧‧Ob type play an additional role in the stabilization of complexes. The existence and stability of surface interactions in the configurations are clarified by PA, DPE, MEP, and AIM analyses. Consequently, the binding of SFX on r-TiO2 is favorable at S=O group and Ti5f sites.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"64 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135979244","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}
引用次数: 0
Preparation of magnetic chitosan/C@Fe3O4 composite for removal of Cu2+ và Pb2+ ion in aqueous solution 制备磁性壳聚糖/C@Fe3O4复合材料去除水中Cu2+ v<s:1> Pb2+离子
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.052
Anh Hong Thi Nguyen
{"title":"Preparation of magnetic chitosan/C@Fe3O4 composite for removal of Cu2+ và Pb2+ ion in aqueous solution","authors":"Anh Hong Thi Nguyen","doi":"10.51316/jca.2023.052","DOIUrl":"https://doi.org/10.51316/jca.2023.052","url":null,"abstract":"In this study, the chitosan/C@Fe3O4 composite was applied to remove metal ions Cu2+ and Pb2+ in aqueous solution. The results showed that the adsorption efficiency was over 90% in 120 min with an initial concentration of 50 mg/L Cu2+ and Pb2+. Various factors affected adsorption processes such as concentration, time and temperature were also conducted. The results showed that the removal efficiency of Cu metal ions was higher than that of Pb2+ with the initial concentration of 50 mg/L, the time of 120 min. The removal efficiencies were up to 90.54 and 83.5 % for Cu2+ and Pb2+, respectively. In addition, kinetic models of the adsorption process were also studied.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"92 10","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219182","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}
引用次数: 0
Green method for preparation ZnO nanoparticles using red peony leaves extracts 绿色方法制备氧化锌纳米颗粒的研究
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.055
Mai Tuyet Thi Nguyen, Thuy Thi Pham, Dung Ngoc Ta, Huyen Thanh Pham, Chinh Dang Huynh, Nga Tuyet Nguyen, Anh Lan Thi Luu
{"title":"Green method for preparation ZnO nanoparticles using red peony leaves extracts","authors":"Mai Tuyet Thi Nguyen, Thuy Thi Pham, Dung Ngoc Ta, Huyen Thanh Pham, Chinh Dang Huynh, Nga Tuyet Nguyen, Anh Lan Thi Luu","doi":"10.51316/jca.2023.055","DOIUrl":"https://doi.org/10.51316/jca.2023.055","url":null,"abstract":"The source of clean, dry red peony leaves has been carefully packaged and preserved. Then the red peony leaves were extracted to get the extracts solution at the optimum extraction temperature, extraction time and leaves sample weight. The precursor material used to prepare ZnO nanoparticles with spherical wurtzite structure was zinc acetate dihydrate salt (Zn(O2CCH3)2.2H2O) with the reducing and stabilized agent being flavonoid extraction from red peony leaves. The structure and characterizations of the fabricated ZnO nanoparticles were studied by measurement methods such as XRD, SEM, EDX, reflectance spectra. The study results showed that the extraction parameters of peony leaves to obtain the optimal flavonoid extraction yield were red peony leaves weight of 20 grams extracted in 100 ml of distilled water, extraction time of 60 minutes and extraction temperature of 70 °C. ZnO spherical wurtzite nanoparticles were prepared by wet chemical method at low temperature of 110 oC, with particle size according to SEM were about of 200-400 nm. The band gap was determined by the Kubelka-Munk method to achieve Eg» 3.05-3.17 eV. The ZnO spherical wurtzite nanoparticles were prepared in this our study with further purposes will be modified to reduce the Eg bandgap energy for applications as highly effective absorbents, photocatalysts in the visible light region.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219181","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}
引用次数: 0
Synthesis of g-C3N4-based layered silicon as an anode material for lithium-ion batteries 锂离子电池负极材料g- c3n4基层状硅的合成
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.053
Nhan Duc Nguyen, Nhung Thi Pham, Trang Thuy Thi Phan, Lan Thi Nguyen, Thang Van Nguyen, Vien Vo
{"title":"Synthesis of g-C3N4-based layered silicon as an anode material for lithium-ion batteries","authors":"Nhan Duc Nguyen, Nhung Thi Pham, Trang Thuy Thi Phan, Lan Thi Nguyen, Thang Van Nguyen, Vien Vo","doi":"10.51316/jca.2023.053","DOIUrl":"https://doi.org/10.51316/jca.2023.053","url":null,"abstract":"The Si/g-C3N4 composite was prepared by a hydrothermal method using Si and g-C3N4 as precursors, in which Si and g-C3N4 were obtained from CaSi2 and melamine, respectively. This composite was used as an anode material for Lithium ion battery, which delivered a specific capacity of 135.6 mAh.g– 1 at current density of 1000 mA.g-1 and exhibited a stable cycling performance. This improvement compared to the pure Si anode is ascribed to the key role of g-C3N4 in relieving the structure stress induced by the large volume variation during lithiation/delithiation. Additionally, the observable enhancement in rate behavior of Si/g-C3N4 anode (108.8 mAh.g-1 at current density of 5000 mA.g-1) demonstrates the superiority of this composite in electronic and ionic conductivity which is clarified by the electrochemical impedance spectroscopy (EIS) result. This result shows g-C3N4 as a promising support to overcome the issue of large volume variation when using pure Si as an anode material.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"1 10","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219372","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}
引用次数: 0
Characterizations of Fe2O3/TiO2 composites fabricated from titanium slag 钛渣制备Fe2O3/TiO2复合材料的表征
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.051
Thiet Dinh Mac, Thi Anh Thi Nguyen, Thieu Duc Nguyen, Thinh Duc Nham, Hai Viet Phung, Xuan Thanh Phan, Tien Minh Ngo, Chinh Van Tran
{"title":"Characterizations of Fe2O3/TiO2 composites fabricated from titanium slag","authors":"Thiet Dinh Mac, Thi Anh Thi Nguyen, Thieu Duc Nguyen, Thinh Duc Nham, Hai Viet Phung, Xuan Thanh Phan, Tien Minh Ngo, Chinh Van Tran","doi":"10.51316/jca.2023.051","DOIUrl":"https://doi.org/10.51316/jca.2023.051","url":null,"abstract":"In this study, Fe2O3/TiO2 composites were successfully fabricated by a simple approach for treating titanium slag with dilute sulfuric acid, followed by a ball-milling process and calcination at a temperature of 400-800 oC in air. The resultant Fe2O3/TiO2 composites were characterized by using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), the N2 adsorption-desorption isotherm, and UV–vis diffuse reflectance spectroscopy. The effects of the concentration of sulfuric acid and the calcinated temperature on the formation of the Fe2O3/TiO2 composites were investigated in detail. The obtained Fe2O3/TiO2 composite has a BET surface area, energy bandgap, and pH point of zero charge of 76.65 m2/g, 2,09 eV, and 8,45, respectively. Therefore, this as-prepared Fe2O3/TiO2 composite could be a promising and cost-effective adsorbent for the effective removal of heavy metals and photodegradation of dyes from an aqueous environment.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"5 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219371","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}
引用次数: 0
Direct synthesis of V2O5 from metals and study the adsorption properties with organic dyes 从金属中直接合成V2O5并研究其与有机染料的吸附性能
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.058
Dong Thanh Vu, Huong Thi Nguyen
{"title":"Direct synthesis of V2O5 from metals and study the adsorption properties with organic dyes","authors":"Dong Thanh Vu, Huong Thi Nguyen","doi":"10.51316/jca.2023.058","DOIUrl":"https://doi.org/10.51316/jca.2023.058","url":null,"abstract":"Scientists from all around the world are currently interested in vanadium oxide (V2O5) due to its applications in fuel cells, display components, poisonous gas sensors,... The ability to absorb dyes for environmental treatment is the most remarkable among them. In this paper, the authors have presented a direct synthesis of V2O5. The sample were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), UV–visible spectrophotometry (UV-Vis) and Raman spectroscopy. The authors also investigated the adsorption properties of prepared V2O5 with Methylene Blue (MB) - a colorant widely used in the dyeing industry that causes great harm to the environment and health. The results show that the material can absorb MB up to 90% in the absence of light after 3 minutes. Finally, a few other organic dyes were investigated in order to evaluate the materials' selectivity.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219375","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}
引用次数: 0
Fabrication of biopolymer containing zero-valent iron nanoparticles for environmental treatment 环境处理用含零价铁纳米颗粒生物聚合物的制备
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.056
Dung Trung Dang, Quynh Xuan Thi Nguyen, Tuan Xuan Mai, Chau Minh Nguyen, Truong Xuan Nguyen, Huong Lan Nguyen, Duong Duc La
{"title":"Fabrication of biopolymer containing zero-valent iron nanoparticles for environmental treatment","authors":"Dung Trung Dang, Quynh Xuan Thi Nguyen, Tuan Xuan Mai, Chau Minh Nguyen, Truong Xuan Nguyen, Huong Lan Nguyen, Duong Duc La","doi":"10.51316/jca.2023.056","DOIUrl":"https://doi.org/10.51316/jca.2023.056","url":null,"abstract":"Environmental pollution is posing hazardous impact on our lives, requiring innovative and effective methods and materials for the treatment process. In this research, the biopolymer containing zero-valent iron nanoparticles is synthesized using the green chemistry method and then coated with a biopolymer (Calcium Alginate) using the dropping method and solidified in CaCl2. Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR) are the methods used to study the morphology and structure of the biopolymer. Analytical results show that the form of material is alginate polymer particles with an average diameter of 2mm containing iron particles with the average size of 100nm. The material has the ability to treat Rhodamine B (RhB) effectively in the absence of the light source, and it is simple to collect and reuse. The efficiency of RhB removal is affected by the ratio of components in the material, the pH of the treated solution, which is evaluated by Ultraviolet-Visible (UV-Vis) method.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"237 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219183","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}
引用次数: 0
Green synthesis of metal-organic framework materials MOF-199 and its adsorption of organic solvents gas 金属-有机骨架材料MOF-199的绿色合成及其对有机溶剂气体的吸附
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.057
Hanh Thu Thi Pham, Phuong Hoai Thi Nguyen
{"title":"Green synthesis of metal-organic framework materials MOF-199 and its adsorption of organic solvents gas","authors":"Hanh Thu Thi Pham, Phuong Hoai Thi Nguyen","doi":"10.51316/jca.2023.057","DOIUrl":"https://doi.org/10.51316/jca.2023.057","url":null,"abstract":"This study synthesized the copper benzene-1,3,5-tricarboxylate metal-organic framework (Cu-BTC) by the hydrothermal method in mixed solvent water/ethanol/PEG. The formed MOF-199 material has a uniform, sharp, octahedral crystal morphology with a 5 ÷ 8 µm size. The surface area of MOF-199 with the BET model is 1.360,76 m2/g. This material can adsorb volatile organic compounds with high capacity. The saturation adsorption capacity of MOF-199 with ethanol, acetone, benzene, toluene, and butyl acetate was 99,50; 86,80; 91,00; 79,00; 104,50 mg/g, respectively. The regenerative capacity of the material also showed that the material was resistant to volatile organic solvents when used 7 times in a row, only decreased under 10%.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219184","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}
引用次数: 0
Synthesis of Fe2O3/UiO-66-NO2/TFC-PA catalytic film for removal of organic pollutants from aqueous solutions Fe2O3/UiO-66-NO2/TFC-PA催化膜去除水中有机污染物的合成
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.050
Thien Le Trinh, Son Thanh Le, Dai Xuan Trinh
{"title":"Synthesis of Fe2O3/UiO-66-NO2/TFC-PA catalytic film for removal of organic pollutants from aqueous solutions","authors":"Thien Le Trinh, Son Thanh Le, Dai Xuan Trinh","doi":"10.51316/jca.2023.050","DOIUrl":"https://doi.org/10.51316/jca.2023.050","url":null,"abstract":"A novel catalytic film of Fe2O3/UiO-66-NO2/TFC-PA was successfully synthesized via the conventional polymerization technique. The as-fabricated sample was characterized by XRD, FT-IR, UV-Vis DRS, and N2 adsorption-desorption isotherm. The catalytic activity of the film was examined by degradation of Methylene blue (MB) under irradiation of visible light. The synthesis conditions of the film were studied as well. The results illustrated that under optimal synthesis conditions as the Fe2O3/UiO-66-NO2 amount of 0.01 g, the polymerization time of 30 s, the catalytic particles were dispersed in the TMC solution and the TMC concentration was 0.1%, the film exhibited a MB removal percentage of 95 %. The material also showed an outstanding regenerative performance with the treatment efficiency reaching 92.8% after four regenerations. The kinetic results showed that the photocatalytic degradation of MB over the film followed the first-order kinetic model.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"44 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219373","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}
引用次数: 0
Synthesis of Pt-Au nanoparticles supported on reduced graphene oxide as a highly active and durability catalyst for electro-oxidation of ethanol 还原氧化石墨烯负载Pt-Au纳米颗粒作为乙醇电氧化的高活性和耐久性催化剂的合成
Tạp chí Xúc tác và Hấp phụ Pub Date : 2023-10-25 DOI: 10.51316/jca.2023.054
Hoang Tien Nguyen, Ngoc Bich Nguyen, Minh Quang Nguyen, Lien Hong Nguyen, Ha Thu Thi Vu
{"title":"Synthesis of Pt-Au nanoparticles supported on reduced graphene oxide as a highly active and durability catalyst for electro-oxidation of ethanol","authors":"Hoang Tien Nguyen, Ngoc Bich Nguyen, Minh Quang Nguyen, Lien Hong Nguyen, Ha Thu Thi Vu","doi":"10.51316/jca.2023.054","DOIUrl":"https://doi.org/10.51316/jca.2023.054","url":null,"abstract":"Design of advanced electrocatalyst, with high active and stability in electro-oxidation reactions for Direct Alcohol Fuel Cells system is urgent scientific need in the context of electrochemical energy application. Herein, Pt-Au nanoparticles supported on reduced graphene oxide, with low content of metals (With the theoretical content of 1.87% (Au) and 4.67% (Pt)), as a highly active and durability catalyst for electro-oxidation of ethanol is successfully synthesized. The current density (mass specific activity) of the PtAu/rGO catalyst for electro-oxidation ethanol, in alkaline media, was 13195 mAmgPt-1, which is 1.26 times higher than that of the Pt/rGO catalyst. After 4000s, the current density of PtAu/rGO catalyst reached 317 mAmgPt-1, is higher than that of Pt/rGO catalyst, reaching 172 mAmgPt-1. The high catalytic activity and stability of the bimetallic PtAu/rGO catalyst in the electrochemical oxidation of ethanol in alkaline medium are attributed to the synergistic effect of Au, Pt and rGO, among which, Au not only plays the role of enhancing the dispersion of Pt, but also has the effect of preventing the agglomeration of Pt nanoparticles during the reaction. This research could open up the potential to develop advanced bimetallic PtAu materials that can be used as electrochemical catalysts for various reactions.","PeriodicalId":478148,"journal":{"name":"Tạp chí Xúc tác và Hấp phụ","volume":"16 7","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135219374","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}
引用次数: 0
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