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Antimicrobial effects of Cynara scolymus essential oil: In vitro analysis 猪尾草精油抑菌作用的体外分析
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-04-08 DOI: 10.3233/mgc-220006
Behnam Karimzadeh Mostafabadi, M. A. Kachoie, E. Rahimi
By benefits of using silicon and vermicompost based biofertilizers and also induction of drought stress for growing more efficient medicinal plants, we investigated such issues on growing Cynara scolymus (C. scolymus), as one of the most significant edible medicinal plants. In this regard, the antimicrobial effects of grown C. scolymus essential oil was investigated against some foodborne pathogens. Different concentrations of silicon and vermicompost with and without drought stress were considered for growing the plant and the extracted essential oils were extracted to examine their antimicrobial effects against different bacterial agents. Using vermicompost and silicon and 50% moisture discharge yielded significant increase in the mean diameter of growth inhibition zone and significant decrease in the minimum inhibitory concentration of tested bacteria (P <  0.05). The highest diameters of the inhibition zones of S. aureus, S. saprophyticus, P. aeruginosa, S. dysenteriae, and S. typhi were found for C. scolymus essential oil treated with 8 mmol silicon and conventional irrigation (14.92 mm), 4 mmol silicon and 50% moisture discharge (15.28 mm), 50% vermicompost and 50% moisture discharge (15.71 mm), 8 mmol silicon and conventional irrigation (17.34 mm) and 25% vermicompost, and 50% moisture discharge (15.48 mm), respectively. Antimicrobial effects of some treatments of C. scolymus were higher than some kinds of referenced antibiotics such as erythromycin. These findings could be used for the production of antibiotic drugs for specific purposes against certain bacteria.
通过利用硅和蚯蚓堆肥为基础的生物肥料,以及诱导干旱胁迫对高效药用植物生长的好处,研究了我国最重要的食用药用植物之一——猪头草(Cynara scolymus, C. scolymus)的种植问题。在此基础上,研究了生长的曲霉精油对食源性病原菌的抑菌作用。考虑不同浓度的硅和蚯蚓堆肥在干旱胁迫和不干旱胁迫下生长,并提取提取的精油,以研究其对不同细菌的抗菌作用。蚯蚓堆肥、硅和50%排湿处理显著增加了抑菌带的平均直径,显著降低了抑菌带的最低抑菌浓度(P < 0.05)。8 mmol硅+常规灌洗(14.92 mm)、4 mmol硅+ 50%排湿(15.28 mm)、50%蚯蚓堆肥+ 50%排湿(15.71 mm)、8 mmol硅+常规灌洗(17.34 mm) + 25%蚯蚓堆肥+ 50%排湿(15.48 mm)对金黄色葡萄球菌、腐生葡萄球菌、铜绿假单胞菌、痢疾葡萄球菌和伤寒葡萄球菌的抑制区直径最大。部分菌株的抑菌效果高于红霉素等参考抗生素。这些发现可以用于生产针对某些细菌的特定目的的抗生素药物。
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引用次数: 0
500 Methylene blue removal with carbon-cage adsorbent produced by hydrazinium azide and comparison of its performance with graphene quantum dot composite 叠氮肼碳笼吸附剂对500亚甲基蓝的去除及其与石墨烯量子点复合材料性能的比较
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-04-08 DOI: 10.3233/mgc-210165
Leila Nazmi Miardan, E. Rezaii, M. Mahkam
Water pollution, which is an increasing global concern, is one of the significant environmental problems which damage economic growth and the health of billions of people. Therefore, many companies and investigators make an effort to prepare a reusable and cost-effective filter to overcome the problem of water shortages. In this study, we have investigated two adsorbents with high adsorption capacity: a graphene quantum dot-based composite and a carbon-cage adsorbent prepared only with graphite and hydrazinium azide that are expanded through an electrical heater. Both adsorbents were able to remove almost 100% of the methylene blue dye, which is widely used in the textile industry. Adsorption rates and morphology of adsorbents were analyzed with XRD, SEM, EDS, TGA and UV spectrometry measurements.
水污染是一个日益引起全球关注的重大环境问题之一,它损害经济增长和数十亿人的健康。因此,许多公司和研究人员努力准备一种可重复使用和成本效益高的过滤器,以克服水资源短缺的问题。在这项研究中,我们研究了两种具有高吸附能力的吸附剂:石墨烯量子点复合材料和仅由石墨和叠氮肼通过电加热器膨胀制备的碳笼吸附剂。两种吸附剂都能去除几乎100%的亚甲基蓝染料,这种染料广泛用于纺织工业。采用XRD、SEM、EDS、TGA和UV光谱分析了吸附剂的吸附速率和形貌。
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引用次数: 0
The study of Letrozole adsorption upon CCT nanotube: A DFT/TD-DFT and spectroscopic (excited states and UV/Vis) 来曲唑在CCT纳米管上吸附的研究:DFT/TD-DFT和光谱(激发态和UV/Vis)
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-04-08 DOI: 10.3233/mgc-210098
N. Masnabadi
In this research, the geometric structure of LTZ and CCT (5,0) was optimized with B3LYP/6-31G * method using the Gaussian 09W program package to investigate the weak interaction of Letrozole (LTZ) and carbon carbon nanotube (CCT). According to the calculation of the release energy, it was found that the drug delivery process is desirable. Also, the structural properties of the title compounds were assessed by thermodynamic and frontier molecular orbital (FMO) parameters. In this study, a series of measures have been performed to detect changes in drug loading properties and non-bonding interactions between the LTZ and CCT (5,0) nanotube. The non-bonding interaction effects of LTZ and CCT over the electronic properties were also evaluated and argued. The research is based on the fact that studies can help to understand the interaction between the LTZ drug and CCT (5,0) nanotube and the development of CCT-based drug release systems. This research aimed to determine variations in electronic properties of anticancer LTZ drug in presences CCT. Then, the reactivity and stability behavior of LTZ drug and on CCT to be examined by density functional theory (DFT). Then, frontier molecular orbital (FMO) and noncovalent interaction (NCI) analyses were performed, which decrease in reactivity described increase in the stability of LTZ drug.
本研究采用B3LYP/6-31G *方法,利用Gaussian 09W程序包对来曲唑(LTZ)和CCT(5,0)的几何结构进行优化,研究来曲唑(LTZ)与碳碳纳米管(CCT)的弱相互作用。根据释放能的计算,发现该给药过程是理想的。并用热力学和前沿分子轨道(FMO)参数评价了标题化合物的结构性质。在这项研究中,我们采取了一系列的措施来检测LTZ和CCT(5,0)纳米管之间的药物负载特性和非键相互作用的变化。对LTZ和CCT的非键相互作用对电子性质的影响也进行了评价和讨论。这项研究是基于这样一个事实,即研究可以帮助了解LTZ药物与CCT(5,0)纳米管之间的相互作用以及基于CCT的药物释放系统的开发。本研究旨在确定存在CCT的抗癌LTZ药物的电子特性变化。然后,利用密度泛函理论(DFT)考察了LTZ药物在CCT上的反应性和稳定性。然后进行前沿分子轨道(FMO)和非共价相互作用(NCI)分析,反应性降低说明LTZ药物的稳定性增加。
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引用次数: 1
Encapsulation of peroxidase on hydrogel sodium polyacrylate spheres incorporated by silver and gold nanoparticles: A comparative study 过氧化物酶在银和金纳米颗粒聚合的聚丙烯酸钠水凝胶球上的包封:比较研究
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-04-08 DOI: 10.3233/mgc-220033
Hassan A. H. Alzahrani
The selectivity of biocatalysts based on enzymes, eco-friendly reaction systems, and strong catalyst performance is exceptionally compelling. For improving enzyme recyclability and stability, a good option that has been proved is immobilization. For enzyme immobilization, hydrogel sodium polyacrylate combined with nanoparticles is an interesting class of support matrices as compared to others. This study synthesizes and uses the cross-linked hydrogel sodium polyacrylate-decorated gold or silver nanoparticles (HSP/AuNPs or AgNPs) as immobilized support for peroxidase and FTIR characterizes it. The novel supports immobilized system properties enhanced biocompatibility. They have attained a greater immobilization yield (91% with HSP/AuNPs and 84% with HSP/AgNPs). The rest of the immobilized peroxidase activity, after 10 recurring cycles of HSP/AuNPs was 61% and HSP/AgNPs was 54% . The remaining activity of the immobilized enzyme onto HSP/AgNPs, after storing at 4°C for 6 weeks, was 73% and HSP/AuNPs was 75% of its initial activity. It was revealed that the optimum temperature for the free enzyme and the immobilized enzyme was 50°C and 50–60°C, respectively. For the immobilized enzyme, the optimum pH is 7–7.5, as compared to the optimum pH of free enzyme pH 6.5.
基于酶的生物催化剂的选择性,生态友好的反应体系,以及强大的催化剂性能是非常引人注目的。为了提高酶的可回收性和稳定性,固定化是一个很好的选择。对于酶固定化,水凝胶聚丙烯酸钠与纳米颗粒相结合是一类有趣的支撑基质。本研究合成并使用交联水凝胶聚丙烯酸钠修饰的金或银纳米粒子(HSP/AuNPs或AgNPs)作为过氧化物酶的固定化载体,并对其进行了红外光谱表征。该新型支持固定化系统的特性,增强了生物相容性。它们获得了更高的固定化率(HSP/AuNPs为91%,HSP/AgNPs为84%)。经过10个循环后,HSP/AuNPs固定过氧化物酶活性为61%,HSP/AgNPs固定过氧化物酶活性为54%。在4℃条件下保存6周后,固定化酶在HSP/AgNPs上的剩余活性为初始活性的73%,HSP/AuNPs为初始活性的75%。结果表明,游离酶和固定化酶的最适温度分别为50℃和50 ~ 60℃。固定化酶的最适pH为7 ~ 7.5,游离酶的最适pH为6.5。
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引用次数: 1
Decolorization mechanisms of reactive yellow 145 and ponceau S in microbial fuel cells during simultaneous electricity production 微生物燃料电池在同步发电过程中活性黄145和ponceau S的脱色机理
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-03-29 DOI: 10.3233/mgc-210180
R. Cebecioglu, D. Akagunduz, H. Bermek, V. E. Atalay, T. Catal
Environmental pollution is increasing in parallel with the increase in the world population. Azo dyes are one of the most important causes of environmental pollution. Microbial electrochemical cells are biotechnological systems that generate energy from renewable sources such as electricity. This study investigated simultaneous electricity generation with the decolorization of two different azo dyes in microbial fuel cells. And also, changes in pH values, chemical oxygen demand analysis, hourly color removal rate, dye spectral scanning were investigated. Reactive Yellow 145 dye with a concentration of 10 mg/L, 20 mg/L, and 40 mg/L, and Ponceau S dye with 20 mg/L and 40 mg/L concentration were tested in microbial fuel cells, respectively. Results indicate that the maximum voltage obtained was 0.11 V at the same time as the 100% decolorization rate in Reactive Yellow 145 and was achieved at a concentration of 10 mg/L also, the maximum voltage obtained was 0.24 V at the same time as the 100% decolorization rate in Ponceau S. It was achieved at a concentration of 20 mg/L. In conclusion, microbial fuel cells appear to be promising tools in treating textile azo dye wastewaters, and computational methods can be applied to estimate the degradation mechanisms of complex organic molecules found in wastewaters.
环境污染随着世界人口的增长而日益严重。偶氮染料是造成环境污染的重要原因之一。微生物电化学电池是一种利用电力等可再生资源产生能量的生物技术系统。本研究研究了微生物燃料电池中两种不同偶氮染料的脱色同时发电。并对pH值的变化、化学需氧量分析、小时脱色率、染料光谱扫描等进行了研究。在微生物燃料电池中分别对浓度为10 mg/L、20 mg/L、40 mg/L的活性黄145染料和浓度为20 mg/L、40 mg/L的Ponceau S染料进行了测试。结果表明,活性黄145在达到100%脱色率时获得的最大电压为0.11 V,在浓度为10 mg/L时获得的最大电压为0.24 V,在浓度为20 mg/L时获得的最大电压为100%脱色率。总之,微生物燃料电池似乎是处理纺织偶氮染料废水的有前途的工具,并且计算方法可以用于估计废水中发现的复杂有机分子的降解机制。
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引用次数: 1
DFT calculations of plutonium-doped conical nanocarbons: Exploring structural and electronic features 掺杂钚的锥形纳米碳的DFT计算:探索结构和电子特征
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-03-29 DOI: 10.3233/mgc-220023
Lina Majeed Haider Al-Haideri, N. Çakmak, Khalid Hadi Mahdi Aal-Shabeeb, A. Dhumad
By the importance of performing investigations on developing characteristic features of nano-based materials for assigning their further applications, this work was done to recognize such features for plutonium (Pu)-doped conical nanocarbons materials. Density functional theory (DFT) calculations were performed for providing information of this work. Three models of conical nanocarbons with disclination angles of 120, 180, and 240 degrees were investigated, in which the Pu atom was doped at the apex of conical structure yielding the models of PuNC120, PuNC180, and PuNC240. Accordingly, formations of four, three, and two PU–C chemical bonds were examined by considering such models systems. The results indicated the PuNC120 with four Pu–C bonds was the distinguished model of this work showing remarkable electronic and conductivity features. As a consequence, the models systems were recognized based on the structural and electronic features to be designated for further applications.
考虑到研究纳米基材料的特征特征对其进一步应用的重要性,本研究对掺杂钚(Pu)的锥形纳米碳材料的特征进行了识别。密度泛函理论(DFT)计算提供了这项工作的信息。研究了三种斜角分别为120度、180度和240度的锥形纳米碳模型,其中在锥形结构的顶端掺杂了Pu原子,得到了PuNC120、PuNC180和PuNC240模型。因此,通过考虑这些模型系统,研究了四个、三个和两个PU-C化学键的形成。结果表明,具有4个Pu-C键的PuNC120是本研究的杰出模型,具有显著的电子和电导率特征。因此,模型系统是根据结构和电子特征来识别的,以供进一步应用。
{"title":"DFT calculations of plutonium-doped conical nanocarbons: Exploring structural and electronic features","authors":"Lina Majeed Haider Al-Haideri, N. Çakmak, Khalid Hadi Mahdi Aal-Shabeeb, A. Dhumad","doi":"10.3233/mgc-220023","DOIUrl":"https://doi.org/10.3233/mgc-220023","url":null,"abstract":"By the importance of performing investigations on developing characteristic features of nano-based materials for assigning their further applications, this work was done to recognize such features for plutonium (Pu)-doped conical nanocarbons materials. Density functional theory (DFT) calculations were performed for providing information of this work. Three models of conical nanocarbons with disclination angles of 120, 180, and 240 degrees were investigated, in which the Pu atom was doped at the apex of conical structure yielding the models of PuNC120, PuNC180, and PuNC240. Accordingly, formations of four, three, and two PU–C chemical bonds were examined by considering such models systems. The results indicated the PuNC120 with four Pu–C bonds was the distinguished model of this work showing remarkable electronic and conductivity features. As a consequence, the models systems were recognized based on the structural and electronic features to be designated for further applications.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76389966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 1
Optimization in synthesize of organic macrocyclic compounds in presence of nano copper chromite catalyst 纳米铜铬铁矿催化合成有机大环化合物的优化研究
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-03-29 DOI: 10.3233/mgc-210161
Afsaneh Barekat, B. S. Hadavand, A. Rayatzadeh, R. Badri
Nowadays, different structures of organic macrocyclic compounds are considered because of their attractive applications. One of the main problems in the synthesis of these materials is their long reaction time but low reaction yield. The use of catalysts can be effective in solving this problem. Among the catalysts, nano-copper chromite can be a good choice due to its good performance in the synthesis of organic compounds. In addition, the Response Surface Methodology was used to investigate the effective parameters in the synthesis more precisely. Based on the previous results of the synthesis and experiments, the catalyst content from 0% to 5% to raw material and reaction time between 24 and 96 h was chosen for the design of the experiment. After determining the reaction yield results, a suitable model was selected and its accuracy was evaluated. Results showed for yields above 95% with minimum catalyst (2.29%) the reaction time of 88 h and for minimum time (65 h), 3.85% of the catalyst is required. This yield with copper chromite nanocatalysts approximately compared to conventional methods for the synthesis of calix[4]resorcinarene was doubled.
目前,不同结构的有机大环化合物因其诱人的应用而受到人们的关注。合成这些材料的主要问题之一是反应时间长而反应产率低。使用催化剂可以有效地解决这一问题。在这些催化剂中,纳米铜铬铁矿具有良好的合成有机化合物的性能,是一个很好的选择。此外,采用响应面法对综合过程中的有效参数进行了更精确的研究。根据前人的合成和实验结果,选择催化剂对原料的用量为0% ~ 5%,反应时间为24 ~ 96 h进行实验设计。在确定了反应产率结果后,选择了合适的模型,并对其精度进行了评价。结果表明,在88 h的最小催化剂用量(2.29%)和65 h的最小催化剂用量(3.85%)下,产率可达95%以上。与传统方法合成杯[4]间苯二甲酸的方法相比,铜铬铁矿纳米催化剂的产率提高了一倍。
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引用次数: 0
The artificial neural network-based QSPR and DFT prediction of lipophilicity for thioguanine 基于人工神经网络的QSPR和DFT预测硫鸟嘌呤的亲脂性
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-03-29 DOI: 10.3233/mgc-220008
Somaye Mir Mohammad Hoseini Ahari, M. Mirzaei
By the importance of exploring anti-cancer properties of thioguanine (TG), the relationships between quantum chemical indices and lipophilicity of TG tautomers were investigated using the quantitative structure-property relationship (QSPR) approach in two isolated and chitosan-encapsulated states. Accordingly, twenty numbers of different tautomeric forms of TG were selected to predict the logP using the QSPR models. Density functional theory (DFT) calculations along with Dragon package were applied to estimate the required quantum chemical descriptors. The Pearson correlation coefficient statistical test and Kennard-Stone algorithm were used to measure the statistical relationship and data splitting into training and testing set, respectively. Furthermore, the multiple linear regression (MLR) and artificial neural network (ANN) methods were employed for generating the models. In this regard, the analysis of variance (ANOVA) was used to form a basis criterion for testing the significance of MLR and ANN results. Moreover, the leave one out (LOO) method was used for examining the prediction efficiency of select models. The obtained result indicated benefits of proposed models for predicting reliable results of logP.
基于探索硫鸟嘌呤(TG)抗癌特性的重要性,采用定量构效关系(QSPR)方法研究了两种分离态和壳聚糖包封态下TG互变异构体的量子化学指标与亲脂性之间的关系。因此,选择了20个不同的TG互变异构体形式来使用QSPR模型预测logP。密度泛函理论(DFT)计算与龙包应用于估计所需的量子化学描述子。使用Pearson相关系数统计检验和Kennard-Stone算法分别度量统计关系和将数据划分为训练集和测试集。此外,采用多元线性回归(MLR)和人工神经网络(ANN)方法生成模型。对此,采用方差分析(ANOVA)形成检验MLR和ANN结果显著性的基本标准。此外,采用留一法(LOO)检验所选模型的预测效率。所得结果表明,所提出的模型对于预测logP的可靠结果是有益的。
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引用次数: 0
Antimicrobial activity of Hydroxyapatite nanoparticles prepared from marble wastes 大理石废料制备羟基磷灰石纳米颗粒的抗菌活性研究
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-03-20 DOI: 10.3233/mgc-210181
Y. Algamal, N. M. Khalil, A. Saddiq, A. Baghdadi
This work aims to prepare and characterize the hydroxyapatite (HAP) nanomaterials from marble wastes (the utilization of the building marble waste for reducing the environmental pollution hazards) and to study its capabilities as antimicrobial and antifungal agents of the prepared nanoparticle. The utilization of the marble waste as a source for calcium chloride and to be reacted with sodium hydrogen phosphate, for synthetization of hydroxyapatite nanoparticles, the prepared material is characterized, tested, and analyzed using X-ray diffraction (XRD), Scan Electron Microscope (SEM) with Energy Dispersive X-Ray analysis (EDAX) techniques. The antimicrobial activity of prepared hydroxyapatite nanomaterial is tested using a well diffusion method with different types of bacteria (Gram-negative): Escherichia. Coli, Salmonella paratyphi, Pseudomonas earuginosa, and Alcaligenes aquatilis and bacteria (Gram- positive): Staphylococcus aureus, and Streptococcacea pneumonia. The antifungal efficacy of HAP nanoparticles is tested for different species of Aspergillus niger, Aspergillus flavus, and Penicillium SP. The diameter of the inhibitory zone shows the sensitivity of the microorganism to HAP nanoparticles in a greater inhibition against Gram- positive Staphylococcus aureus and Streptococcacea pneumonia, at 100% DMSO concentration. The diameter of the inhibition zone was 03.70 mm, when compared with other types of bacteria. The diameter of the inhibitory zone showed the sensitivity of the microorganism to HAP nanoparticles in a greater inhibition against Penicillium SP at 100% DMSO concentration, the inhibition zone diameter was 2.20 mm, when compared with other Aspergillus niger and Aspergillus flavus fungal species. Based on obtained results for the HAP nanoparticles prepared from the marble wastes have antibacterial effects on both Gram-negative (E. coli) and Gram-positive (S. aureus) strains.
本工作旨在利用大理石废弃物(利用建筑大理石废弃物减少环境污染危害)制备羟基磷灰石(HAP)纳米材料并对其进行表征,并研究其作为抗菌和抗真菌剂的性能。利用大理石废料作为氯化钙的来源,与磷酸氢钠反应,合成羟基磷灰石纳米颗粒,利用x射线衍射(XRD)、扫描电子显微镜(SEM)和能量色散x射线分析(EDAX)技术对制备的材料进行表征、测试和分析。制备的羟基磷灰石纳米材料用不同类型的细菌(革兰氏阴性):埃希氏菌进行了抗菌活性测试。大肠杆菌、副伤寒沙门氏菌、土绿假单胞菌、水藻藻和细菌(革兰氏阳性):金黄色葡萄球菌和肺炎链球菌。研究了HAP纳米颗粒对不同种类黑曲霉、黄曲霉和青霉SP的抑菌效果。抑菌带的直径表明,在100% DMSO浓度下,HAP纳米颗粒对革兰氏阳性金黄色葡萄球菌和肺炎链球菌的抑菌效果较好。与其他类型细菌相比,抑菌圈直径为3.70 mm。抑菌区直径显示了该微生物对HAP纳米颗粒的敏感性,在100% DMSO浓度下对青霉菌SP的抑菌效果较好,抑菌区直径为2.20 mm,与其他黑曲霉和黄曲霉真菌相比。根据已获得的结果,由大理石废物制备的HAP纳米颗粒对革兰氏阴性(大肠杆菌)和革兰氏阳性(金黄色葡萄球菌)菌株均有抗菌作用。
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引用次数: 0
Influence of concentration of different chemical precursors on the physical properties of Cr2O3 thin films elaborated via pneumatic spray 采用气喷法制备了不同化学前驱物浓度对Cr2O3薄膜物理性能的影响
IF 1.5 4区 化学 Q4 Materials Science Pub Date : 2022-03-20 DOI: 10.3233/mgc-210137
Bothaina Saadi, S. Rahmane, Mouloud Laidoudi, Aicha Kater
In this paper, Cr2O3 thin films were synthesized successfully on glass substrates at 450 °C using a simple and low-cost homemade pneumatic spray system (SP) using two different precursors: chromium chloride and chromium nitrate. A systematic study of the influence of concentration of each precursor used for deposition on the structural, morphological, optical and electrical properties has investigated. The XRDresults show that the Cr2O3 films prepared with chromium chloride are polycrystalline with rhombohedral structure and those prepared with low concentration of chromium nitrate have a poor crystallinity. Peaks associated with Cr and O elements are present in EDS analysis that confirm the composition of the films and SEM images revealed a uniform, homogeneous and well covered surface.The measured electrical conductivity was found in the order of 5(Ω.cm)–1. The average transmittance of the films deposited from chromium nitrate is in the range of 60 % and for the films deposited from chromium chloride, it reaches75 % in the visible region. These electrical and optical properties of Cr2O3 thin film ascribed to its wide band gap, are indeed required for optoelectronic devices especially for solar cell window.
本文以氯化铬和硝酸铬两种不同的前驱体为原料,采用简单、低成本的自制气动喷涂系统(SP),在450℃的温度下成功地在玻璃衬底上合成了Cr2O3薄膜。系统地研究了用于沉积的每种前驱体的浓度对结构、形态、光学和电学性质的影响。xrd结果表明,用氯化铬制备的Cr2O3薄膜是具有菱形结构的多晶薄膜,而用低浓度硝酸铬制备的Cr2O3薄膜结晶度较差。在EDS分析中发现了与Cr和O元素相关的峰,这证实了薄膜的组成,SEM图像显示了均匀、均匀和覆盖良好的表面。测得的电导率为5(Ω.cm) -1。硝酸铬沉积膜的平均透过率在60%左右,氯化铬沉积膜在可见光区平均透过率达到75%。Cr2O3薄膜的这些电学和光学特性归因于其宽带隙,确实是光电器件特别是太阳能电池窗口所必需的。
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引用次数: 0
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Main Group Chemistry
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