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Investigation of a novel inorganic cubic perovskite Ca3PI3 with unique strain‐driven optical, electronic, and mechanical properties 具有独特应变驱动光学、电子和机械性能的新型无机立方钙钛矿Ca3PI3的研究
Pub Date : 2023-09-10 DOI: 10.1002/nano.202300066
Md. Ferdous Rahman, Md. Al Ijajul Islam, Md. Rasidul Islam, Md. Hasan Ali, Pobitra Barman, Md. Azizur Rahman, Md. Harun‐Or‐Rashid, Mehedi Hasan, M. Khalid Hossain
Abstract The remarkable structural, optical, and electronic characteristics of inorganic perovskite materials have generated significant enthusiasm within the field of solar technology. The material Ca 3 PI 3 belongs to the same category as inorganic metal halide perovskites. This research utilized the first‐principles density functional theory (FP‐DFT) to examine how the optical and electronic characteristics of Ca 3 PI 3 are impacted by strain. To accurately determine the band arrangement, we incorporated the relativistic spin‐orbit coupling (SOC) effect into our calculations. The planar Ca 3 PI 3 molecule has a direct bandgap of 1.582 eV (PBE) at its Г(gamma)‐point, but while the relativistic SOC effect is included, the bandgap decreases to 1.329 eV. Under compressive strain, the bandgap of all structures decreases, whereas under tensile strain, it increases. The optical characteristics of Ca 3 PI 3 , including the dielectric function, absorption coefficient, and electron loss function, indicate its strong absorption capabilities in the visible range, driven by its band properties. Besides, the photon energy spectrum displays a red‐shift (blue‐shift) in the absorption coefficient and dielectric function with increasing amounts of compressive (tensile) strain. Therefore, the study of the strain‐induced optical and electronic characteristics of Ca 3 PI 3 bears valuable implications for its potential use in the design of solar cells and optoelectronic devices.
无机钙钛矿材料具有显著的结构、光学和电子特性,在太阳能技术领域引起了极大的热情。材料ca3pi3与无机金属卤化物钙钛矿属于同一类别。本研究利用第一性原理密度泛函理论(FP - DFT)研究了Ca 3 PI 3的光学和电子特性如何受到应变的影响。为了准确地确定能带的排列,我们将相对论性自旋轨道耦合(SOC)效应纳入了我们的计算中。平面ca3pi - 3分子在Г(gamma)点处的直接带隙为1.582 eV (PBE),但考虑到相对论性SOC效应,带隙减小到1.329 eV。在压缩应变下,各结构的带隙减小,而在拉伸应变下,各结构的带隙增大。Ca 3 PI 3的光学特性,包括介电函数、吸收系数和电子损失函数,表明其在可见光范围内具有很强的吸收能力,这是由其能带特性驱动的。此外,随着压缩应变(拉伸应变)的增加,光子能谱的吸收系数和介电函数呈现红移(蓝移)。因此,研究ca3pi - 3的应变诱导光学和电子特性对其在太阳能电池和光电子器件设计中的潜在应用具有重要意义。
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引用次数: 3
Robocasting of ordered mesoporous silica‐based monoliths: Rheological, textural, and mechanical characterization 有序介孔硅基整体材料的机械铸造:流变学、结构和力学表征
Pub Date : 2023-09-10 DOI: 10.1002/nano.202300109
Emiliano S. Dal Molin, Laura M. Henning, Julian T. Müller, Glen J. Smales, Brian R. Pauw, Maged F. Bekheet, Aleksander Gurlo, Ulla Simon
Hierarchically porous, high‐surface‐area silica materials are excellent candidates for multiple applications like catalysis and environmental remediation. Shaping these materials with additive manufacturing (AM) techniques, like robocasting, could enable their use with the benefit of on‐demand, customized shaping and maximizing performance. Herein, ordered mesoporous silica COK‐12 slurries were robocasted into monoliths, containing different ratios of uncalcined COK‐12 and sodium bentonite (0–25 wt.%). The rheology of the mixed slurries is characterized by lower flow indexes (0.69 vs. 0.32) and higher yield stresses (96 vs. 259 Pa) compared to pure COK‐12 ones. Monoliths were printed in woodpile structures and calcined at 600°C. Micro‐CT measurements showed a linear shrinkage of 25% after calcination. Mechanical characterization showed increased uniaxial strength (0.20 ± 0.07 to 1.0 ± 0.3 MPa) with increasing binder/solids ratio from 13 to 25%. The amorphous, mesoporous structure of COK‐12 was retained. The structures exhibited open porosities of 52 ± 4% and showed higher specific mesopore volumes, and increased average mesopore size (6 vs. 8 nm) compared to COK‐12. Small‐angle x‐ray scattering analysis revealed an increased lattice parameter (10.3 vs. 11.0 nm) and reduced wall thickness (3.1 nm vs. 4.1 nm) of the COK‐12 in the monoliths. These properties indicate suitability for their application as porous supports and adsorbents.
分层多孔,高表面积的二氧化硅材料是催化和环境修复等多种应用的优秀候选者。使用增材制造(AM)技术(如机器人铸造)对这些材料进行成型,可以使其具有按需、定制成型和最大化性能的优势。在这里,有序的介孔二氧化硅COK‐12浆料被机械铸造成整体,含有不同比例的未煅烧的COK‐12和钠膨润土(0-25 wt.%)。与纯COK‐12相比,混合浆料的流变学特点是流动指数(0.69 vs. 0.32)较低,屈服应力(96 vs. 259 Pa)较高。在木桩结构中印刷单体,并在600°C下煅烧。微CT测量显示,煅烧后的线性收缩为25%。力学特性表明,粘结剂/固体比从13%增加到25%,单轴强度从0.20±0.07增加到1.0±0.3 MPa。COK‐12的无定形介孔结构得以保留。与COK‐12相比,该结构的开孔率为52±4%,具有更高的介孔体积和平均介孔尺寸(6 nm vs. 8 nm)。小角度x射线散射分析显示,COK - 12的晶格参数增加(10.3 nm vs. 11.0 nm),壁厚减少(3.1 nm vs. 4.1 nm)。这些特性表明了它们作为多孔载体和吸附剂的适用性。
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引用次数: 0
Semi‐solid 3D printing of mesoporous silica nanoparticle‐incorporated xeno‐free nanomaterial hydrogels for protein delivery 半固体3D打印介孔二氧化硅纳米颗粒-结合无xeno纳米材料水凝胶用于蛋白质输送
Pub Date : 2023-09-06 DOI: 10.1002/nano.202300097
Alaa Mahran, E. Özliseli, Qingbo Wang, Ilayda Özliseli, R. Bhadane, Chunlin Xu, Xiaoju Wang, J. Rosenholm
Multifunctional biomaterial inks are in high demand for adapting hydrogels in biomedical applications through three‐dimensional (3D) printing. Our previously developed xeno‐free system consisting of anionic cellulose nanofibers (T‐CNF) and methacrylated galactoglucomannan (GGMMA) as a photo(bio)polymer provides high‐performance ink fidelity in extrusion‐based 3D printing. The fusion between nanoparticles and this biomaterial‐ink system is a promising yet challenging avenue worth exploring, due to the colloidal stability of T‐CNF being sensitive to electrostatic interactions. Mesoporous silica nanoparticles (MSNs), with their robust ceramic matrix and fine‐tunable surface chemistries, are well‐established nanocarriers for different biologicals. Here, we fabricated MSNs with different surface modifications resulting in a net surface charge ranging from highly negative to highly positive to develop printable MSNs‐laden nanocomposite biomaterial inks. We utilized rheology as a comprehensive tool to address the matrix interactions with differently surface‐charged MSNs. Fluorescently labeled bovine serum albumin (FITC‐BSA) was used as a model protein for MSN loading, whereby negatively or neutral‐charged MSNs were found suitable to formulate FITC‐BSA‐loaded biomaterial inks of T‐CNF/GGMMA. Depending on the particles’ surface charge, FITC‐BSA showed different release profiles and preserved its stability after release. Lastly, the proof‐of‐concept to deliver large‐sized biological cargo with MSN‐laden nanocomposite biomaterial inks was established via the 3D printing technique.
通过三维(3D)打印,多功能生物材料墨水在生物医学应用中对适应水凝胶的需求很大。我们之前开发的无xeno系统由阴离子纤维素纳米纤维(T - CNF)和甲基丙烯酸半乳糖葡甘露聚糖(GGMMA)作为光(生物)聚合物组成,为挤压3D打印提供高性能的油墨保真度。由于T - CNF的胶体稳定性对静电相互作用敏感,纳米颗粒与这种生物材料-链接系统之间的融合是一个有前途但具有挑战性的途径,值得探索。介孔二氧化硅纳米颗粒(MSNs)具有坚固的陶瓷基体和精细可调的表面化学性质,是不同生物制剂的成熟纳米载体。在这里,我们制造了具有不同表面修饰的msn,导致净表面电荷从高负到高正不等,以开发可打印的负载msn的纳米复合生物材料墨水。我们利用流变学作为一种综合工具来解决基质与不同表面带电的msn之间的相互作用。荧光标记的牛血清白蛋白(FITC - BSA)被用作装载MSN的模型蛋白,因此发现带负电荷或中性电荷的MSN适合用于制备装载FITC - BSA的T - CNF/GGMMA生物材料墨水。FITC - BSA在不同的表面电荷下表现出不同的释放曲线,并在释放后保持稳定性。最后,通过3D打印技术,建立了用负载MSN的纳米复合生物材料墨水运送大型生物货物的概念验证。
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引用次数: 0
Theoretical investigation of the impact of intra‐ and inter‐layer coupling of high TC superconductor Nd2‐xCexCuO4 高TC超导体Nd2-xCexCuO4层内和层间耦合影响的理论研究
Pub Date : 2023-08-21 DOI: 10.1002/nano.202300047
Zewdie Yayeh, G. Kahsay, T. Negussie
The aim of the current study is to investigate the impact of layer coupling on the characteristics of high TC superconductor Nd2‐xCexCuO4 (NCCO). In this study, the intra‐ and inter‐layer couplings are taken into consideration. By applying the double time Green's function (GF) technique and formulating a model Hamiltonian, the transition temperature (TC) of superconductor Nd2‐xCexCuO4 is computed quantitatively by considering the intra‐ and inter‐layer interactions as independent variables. By increasing the layer interactions, the increase in TC is observed. Furthermore, TC is calculated by taking into consideration different number of interlayer interactions as independent variables which subsequently resulted in the enhancement of TC. Besides, TC has been computed as a function of electron doping as a result of which a dome shaped figure has been perceived in the temperature versus doping phase diagram. The superconducting order parameter (Δ) has been also reckoned as a function of temperature and is observed to gradually decrease as temperature increases and eventually vanishes at TC. A slight increment in TC is observed as the doping values of charge carriers increase. Our findings are discussed in connection with the experimental studies of superconductivity (SC) in Nd2CuO4 based layered compounds.
本研究的目的是研究层耦合对高TC超导体Nd2-xCexCuO4(NCCO)特性的影响。在本研究中,考虑了层内和层间耦合。通过应用双时间格林函数(GF)技术并建立模型哈密顿量,将层内和层间相互作用视为自变量,定量计算了超导体Nd2-xCexCuO4的转变温度(TC)。通过增加层间相互作用,可以观察到TC的增加。此外,通过考虑不同数量的层间相互作用作为自变量来计算TC,这些相互作用随后导致TC的增强。此外,TC被计算为电子掺杂的函数,因此在温度与掺杂的相图中可以看到圆顶形状的图形。超导有序参数(Δ)也被认为是温度的函数,并观察到随着温度的升高而逐渐降低,最终在TC处消失。随着载流子掺杂值的增加,观察到TC略有增加。我们的发现是结合Nd2CuO4基层状化合物的超导性(SC)的实验研究进行讨论的。
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引用次数: 0
Investigating the protective effects of Elaeagnus angustifolia fruit extract on hematological parameters and damage of different tissues of male mice exposed to graphene oxide nanoparticles 沙枣果实提取物对氧化石墨烯纳米粒子暴露雄性小鼠血液学参数和不同组织损伤的保护作用
Pub Date : 2023-08-04 DOI: 10.1002/nano.202300070
M. Sayadi, N. Fahoul, Javad Kharkan, Masoumeh Khairieh
The aim of this study is to investigate the protective effects of Elaeagnus angustifolia fruit extract (EAFE) on hematology, biochemical parameters, liver enzymes and damage of different tissues of male mice exposed to graphene oxide nanoparticles (GO NPs). In this research, 48 mice were divided into six groups. Hematology parameters including red blood cells (RBC), white blood cells (WBC), hematocrit (Ht), and hemoglobin (Hb), biochemical parameters such as cholesterol, triglyceride, glucose, protein, albumin, creatinine and bilirubin, liver enzymes including aspartate aminotransferase (AST), alanine aminotransferase (ALT), alkaline phosphatase (ALP) and lactate dehydrogenase (LDH) and histological damage of liver, kidney, lung and testis of mice were investigated. The results show that GO NPs in both concentrations (30 and 60 mg/kg/bw) decrease the number of RBC compared to the control group (p < 0.05). EAFE has no effect on RBC count while EAFE in combination with both concentrations of 30 and 60 mg/kg/bw GO NPs significantly (p < 0.05) improves the RBC count of mice. Also, the results show that EAFE improves the number of WBC, Ht, Hb, and biochemical parameters of mice exposed to different concentrations of GO NPs. A series of morphological changes were observed in the RBC of rats exposed to 60 mg/kg/bw GO NPs, including Dacrocyte, Poikilocyte and Schistocyte, which EAFE can improve the morphological changes caused in RBC. A series of histological damages such as degeneration and dilatation in the central vein in liver tissue, thickening and inflammatory cell infiltration in the renal capsule, peribronchiolar inflammatory cell infiltration and congestion in peribronchiolar blood vessels in lung tissue and decrease in the height of the germinal epithelium and a decrease in the population of spermatozoid cells in spermatogenic cells were observed in the testis of mice exposed to 60 mg/kg/bw GO NPs. The results show that EAFE can improve the damage caused by GO NPs in the liver, kidney and lung tissues, while it has no effect on the damage in the mice testis tissue. Therefore, GO NPs cause damage in the blood and different tissues of mice, and the use of EAFE can be effective in improving these damages.
本研究旨在探讨氧化石墨烯纳米颗粒(GO NPs)对雄性小鼠血液学、生化指标、肝酶及不同组织损伤的保护作用。在这项研究中,48只小鼠被分为六组。观察小鼠红细胞(RBC)、白细胞(WBC)、红细胞压积(Ht)、血红蛋白(Hb)等血液学指标,胆固醇、甘油三酯、葡萄糖、蛋白质、白蛋白、肌酐、胆红素等生化指标,天冬氨酸转氨酶(AST)、丙氨酸转氨酶(ALT)、碱性磷酸酶(ALP)、乳酸脱氢酶(LDH)等肝脏酶以及肝、肾、肺、睾丸的组织学损伤。结果表明,与对照组相比,两种浓度(30和60 mg/kg/bw)的氧化石墨烯NPs均使红细胞数量减少(p < 0.05)。EAFE对小鼠红细胞计数无影响,而EAFE与30和60 mg/kg/bw氧化石墨烯NPs联合使用可显著提高小鼠红细胞计数(p < 0.05)。此外,结果表明,EAFE提高了暴露于不同浓度氧化石墨烯NPs的小鼠的WBC、Ht、Hb数量和生化参数。60 mg/kg/bw氧化石墨烯NPs使大鼠红细胞发生了一系列形态学变化,包括大胶质细胞(Dacrocyte)、Poikilocyte和Schistocyte, EAFE可以改善红细胞形态学变化。60 mg/kg/bw氧化石墨烯NPs使小鼠睾丸出现肝组织中心静脉变性扩张、肾包膜增厚、炎症细胞浸润、肺组织细支气管周围炎症细胞浸润、细支气管周围血管充血、生殖上皮高度降低、生精细胞中类精子细胞数量减少等一系列组织学损伤。结果表明,EAFE能改善氧化石墨烯NPs对小鼠肝、肾、肺组织的损伤,而对小鼠睾丸组织的损伤无影响。因此,氧化石墨烯NPs在小鼠的血液和不同组织中造成损伤,使用EAFE可以有效改善这些损伤。
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引用次数: 1
First‐principles study of optical and thermoelectric properties of Zn3As2 and ZnSb Zn3As2和ZnSb光学和热电性质的第一性原理研究
Pub Date : 2023-07-13 DOI: 10.1002/nano.202300074
Lai Hnuna, El-Abed Haidar, Bezzerga Djamel, C. Stampfl, Sahnoun Mohammed, Z. Pachuau
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引用次数: 1
Small thiophene fluorophores in live cells promote protein self‐assembly into nanostructured fluorescent and electroactive microfibers 活细胞中的小噻吩荧光团促进蛋白质自组装成纳米结构的荧光和电活性微纤维
Pub Date : 2023-06-29 DOI: 10.1002/nano.202300007
I. Palamà, G. Maiorano, G. Barbarella, G. Gigli
{"title":"Small thiophene fluorophores in live cells promote protein self‐assembly into nanostructured fluorescent and electroactive microfibers","authors":"I. Palamà, G. Maiorano, G. Barbarella, G. Gigli","doi":"10.1002/nano.202300007","DOIUrl":"https://doi.org/10.1002/nano.202300007","url":null,"abstract":"","PeriodicalId":74238,"journal":{"name":"Nano select : open access","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43230145","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
Reconfigurable wearable antenna for 5G applications using nematic liquid crystals 使用向列液晶的5G应用的可重构可穿戴天线
Pub Date : 2023-06-26 DOI: 10.1002/nano.202200209
Yuanjie Xia, Mengyao Yuan, Alexandra Dobrea, Chong Li, Hadi Heidari, Nigel Mottram, Rami Ghannam
Abstract The antenna is one of the key building blocks of many wearable electronic devices, and its functions include wireless communications, energy harvesting, and radiative wireless power transfer. In an effort to realize lightweight, autonomous, and battery‐less wearable devices, we demonstrate a reconfigurable antenna design for 5G wearable applications that requires ultra‐low driving voltages (0.4–0.6 V) and operates over a high frequency range (3.3–3.8 GHz). For smart glasses applications, previous antenna designs were ‘fixed’ and mounted on the eyeglass frame itself. Here, we demonstrate a reconfigurable design that could be achieved on the lens itself using an anisotropic liquid crystal (LC) material. We demonstrate how liquid crystal alignment and electric field patterns strongly influence the tuning capabilities of these antennas in the gigahertz range and present a smart, reconfigurable spiral antenna system with a liquid crystal substrate.
天线是许多可穿戴电子设备的关键组成部分之一,其功能包括无线通信、能量收集和辐射无线电力传输。为了实现轻量化、自主和无电池的可穿戴设备,我们展示了一种可重构天线设计,用于5G可穿戴应用,需要超低驱动电压(0.4-0.6 V),并在高频范围(3.3-3.8 GHz)内工作。对于智能眼镜应用,以前的天线设计是“固定”的,安装在眼镜框架上。在这里,我们展示了一种可重构设计,该设计可以使用各向异性液晶(LC)材料在透镜本身上实现。我们展示了液晶对准和电场模式如何强烈影响这些天线在千兆赫范围内的调谐能力,并提出了一个智能的、可重构的液晶基板螺旋天线系统。
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引用次数: 1
3D printed PCL/nHAp scaffolds: Influence of scaffold structural parameters on osteoblast performance in vitro 3D打印PCL/nHAp支架:支架结构参数对体外成骨细胞性能的影响
Pub Date : 2023-06-15 DOI: 10.1002/nano.202300048
Z. Yazdanpanah, Farinaz Ketabat, Patsy Gómez-Picos, Alice Raquin, A. Fazel Anvari‐Yazdi, B. Eames, J. Johnston, D. Cooper, Xiongbiao Chen
{"title":"3D printed PCL/nHAp scaffolds: Influence of scaffold structural parameters on osteoblast performance in vitro","authors":"Z. Yazdanpanah, Farinaz Ketabat, Patsy Gómez-Picos, Alice Raquin, A. Fazel Anvari‐Yazdi, B. Eames, J. Johnston, D. Cooper, Xiongbiao Chen","doi":"10.1002/nano.202300048","DOIUrl":"https://doi.org/10.1002/nano.202300048","url":null,"abstract":"","PeriodicalId":74238,"journal":{"name":"Nano select : open access","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44719776","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
Nanomaterials: An overview of synthesis, classification, characterization, and applications 纳米材料:合成、分类、表征和应用综述
Pub Date : 2023-06-10 DOI: 10.1002/nano.202300038
Bawoke Mekuye, B. Abera
{"title":"Nanomaterials: An overview of synthesis, classification, characterization, and applications","authors":"Bawoke Mekuye, B. Abera","doi":"10.1002/nano.202300038","DOIUrl":"https://doi.org/10.1002/nano.202300038","url":null,"abstract":"","PeriodicalId":74238,"journal":{"name":"Nano select : open access","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46727256","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: 7
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Nano select : open access
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