Materials Today Communications最新文献_第5页

Novel self-doping alcohol-soluble quinacridone-based small molecule at the cathode interface layer of organic solar cells 有机太阳能电池阴极界面层中基于醇溶性喹吖啶酮的新型自掺杂小分子

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110357

Siqian Qu, Yefeng Qiu, Shaopeng Fu, Min Yang, Ting Xie, Tingting Shang, Jianfeng Li

{"title":"Novel self-doping alcohol-soluble quinacridone-based small molecule at the cathode interface layer of organic solar cells","authors":"Siqian Qu, Yefeng Qiu, Shaopeng Fu, Min Yang, Ting Xie, Tingting Shang, Jianfeng Li","doi":"10.1016/j.mtcomm.2024.110357","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110357","url":null,"abstract":"Interfacial modification plays a crucial part in improving the photovoltaic performance and stability of organic solar cells (OSCs). The self-doping effect can enhance the inter-ohmic contact at the active layer material with the cathode. Therefore, we synthesised a self-doping alcohol-soluble quinacridone-based small molecule, 5,12-bis(3-(dimethylamino)propyl)-5,12-dihydroquinolo[2,3-]acridine-7,14-dione (QAN), with a self-doping effect, and introduced QAN as cathode interfacial layers (CILs) into OSCs. The central nuclear structure of QAN is an electron-deficient unit with a large conjugated structure. This structure facilitates electron transport as a cathode-interface material. Additionally, its polar side chains enhance the solution-processing capability and contribute to a more pronounced self-doping effect. Compared with the devices without interfacial material, the open-circuit voltage() and short-circuit current () with QAN as an interfacial material increased. What's more, the optimal photoelectric conversion efficiency (PCE) of the QAN CIL device is increased to 9.05 % for the same experimental conditions, which is 40 % higher than the device without interface material. By characterizing the surface morphology, it was found that the PTB7-Th:PCBM active layer devices exhibited a smooth surface morphology and improved hydrophilicity when inserted with QAN CIL, which helps to enhance the physical contact of the active layer with the cathode, in addition to charge extraction and transport. This result suggests that introducing QAN as the CILs of the device is a viable way to improve the performance of the OSCs.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"11 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advances in light-activated shape memory polymer: A brief review 光激活形状记忆聚合物的进展：简要回顾

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110247

K.Y. Shen, X.J. Wang, H.J. Chen

引用次数: 0

Influence of Ni content on electrochemical corrosion and tribological behavior of Cu-10Sn coatings by laser cladding 镍含量对激光熔覆 Cu-10Sn 涂层电化学腐蚀和摩擦学行为的影响

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110370

P.K. Hu, H. Wu, R. Wang, C.H. Zhang, S. Zhang, C.L. Wu, F.P. Huo, H.T. Chen

{"title":"Influence of Ni content on electrochemical corrosion and tribological behavior of Cu-10Sn coatings by laser cladding","authors":"P.K. Hu, H. Wu, R. Wang, C.H. Zhang, S. Zhang, C.L. Wu, F.P. Huo, H.T. Chen","doi":"10.1016/j.mtcomm.2024.110370","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110370","url":null,"abstract":"In this work, Cu-10Sn-Ni ( = 0, 3, 6, 9, and 12 wt%) alloy coatings were prepared using laser cladding technology. The influence of Ni content on the phase composition, microstructure, crystallographic characteristics, microhardness, electrochemical corrosion, dry sliding wear and corrosive wear behavior of the coatings were studied. The results indicated that the coatings formed good metallurgical bond with the substrate. The coatings were composed primarily of the α-Cu matrix and small γ precipitates. The Ni element effectively reduced component segregation, and with the increased of Ni content, the grain size in the coating was significantly refined, resulting in fine equiaxed grains. Under the effect of fine grain strengthening, the Cu-10Sn-12Ni (C12NS) coating achieved a higher microhardness of approximately 222.9 ± 5.3 HV. In the electrochemical corrosion test, the increased in the number of grain boundaries significantly reduced the corrosion resistance of the Cu-10Sn-Ni coatings. The Cu-10Sn-6Ni (C6NS) coating exhibited excellent corrosion resistance, with an of only 1.37 μA/cm. The results of the dry sliding wear test showed that under the influence of the hardness gradient between the hard precipitate phase and the soft matrix of the coating, the C6NS coating achieved satisfactory wear resistance with a specific wear rate of 3.30 × 10 μm/Nm. Meanwhile, due to the good corrosive resistance, the C6NS coating showed the best tribological performance in 3.5 wt% NaCl environment, and the specific wear rate was 1.58 × 10 μm/Nm.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"105 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mechanism of ammonium adsorption onto the surface of heteroatom doped graphene quantum dots 掺杂杂原子的石墨烯量子点表面吸附铵的机理

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110366

Saurav Kumar, Neha Agnihotri

引用次数: 0

Machine learning-based prediction of CoCrFeNiMo0.2 high-entropy alloy weld bead dimensions in wire arc additive manufacturing 基于机器学习的线弧快速成型制造中 CoCrFeNiMo0.2 高熵合金焊缝尺寸预测

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110359

Qingkai Shen, Jiaxiang Xue, Zehong Zheng, Xiaoyan Yu, Ning Ou

引用次数: 0

Effect of grain size and temperature on mechanical properties of nanocrystalline nickel 晶粒尺寸和温度对纳米晶镍机械性能的影响

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110380

Zhiqing Lv, Ying Mao, Kexin Cui, Ruixin Li, Qin Zhang, Rongbin Li

{"title":"Effect of grain size and temperature on mechanical properties of nanocrystalline nickel","authors":"Zhiqing Lv, Ying Mao, Kexin Cui, Ruixin Li, Qin Zhang, Rongbin Li","doi":"10.1016/j.mtcomm.2024.110380","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110380","url":null,"abstract":"Molecular dynamics simulations were employed to perform the nanoindentation analysis of nanocrystalline nickel with polycrystalline crystal structure at different grain sizes and temperatures under an indenter of spherical shape. The results indicate that during the nanoindentation process, dislocations are mainly present near grain boundaries. Atomic rearrangements occur around the indentation area, which leads to the formation of an amorphous region along the grain boundaries. The indentation region contains dislocations and amorphous structures. As the grain size decreases, the indentation stress decreases. However, for grain sizes below 13.7 nm, a reverse Hall-Petch relationship is observed between grain size and hardness values. The elastic recovery rate in the depth direction increases with increasing grain size, and is greater than that in the width direction, so the influence of the grain size on the elastic recovery rate in the width direction is very small. At higher simulation temperatures, the load-displacement curve during nanoindentation exhibits significant fluctuations. The higher the simulated temperature, the greater the fluctuation of the load-displacement curve. The hardness values reaches the maximum value at 100 K, and then decrease with the increase of temperatures. When the indentation depth remains constant, the number of atoms experiencing higher shear strains increases with increasing temperature.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"5 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular dynamics simulation of interfacial interaction mechanisms between ground tire rubber and styrene-butadiene rubber enhanced by nanomaterial incorporation 通过加入纳米材料增强轮胎橡胶与丁苯橡胶界面相互作用机理的分子动力学模拟

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110367

Bowen Jiang, Jing Zhao, Bin Yang, Yadi Yang, Yunlong Li

{"title":"Molecular dynamics simulation of interfacial interaction mechanisms between ground tire rubber and styrene-butadiene rubber enhanced by nanomaterial incorporation","authors":"Bowen Jiang, Jing Zhao, Bin Yang, Yadi Yang, Yunlong Li","doi":"10.1016/j.mtcomm.2024.110367","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110367","url":null,"abstract":"The recycling of ground tire rubber (GTR) is an effective method for addressing black pollution. In this study, we investigated and compared the effects of acidic oxidation treatments and different nanomaterial contents on the interfacial properties of styrene-butadiene rubber (SBR) and GTR. Molecular models of GTR modified by acidic oxidation and nanomaterials, as well as SBR, were established. The interfacial interaction mechanisms between SBR and GTR were studied through tensile and shear behaviors. The results indicated that the properties of SBR-GTR interface were enhanced through acidic oxidation and nanomaterial modification, with the latter demonstrating superior advantages in augmenting the interfacial strength. Specifically, the addition of a carbon nanotube and graphene increased the interfacial cohesion strength by 55.12 % and 82.93 %, and the interfacial shear strength by 29.87 % and 43.05 %, respectively. Moreover, graphene exhibited superior performance in enhancing interfacial interactions compared to carbon nanotubes and increasing the nanomaterial content did not positively impact the improvement of interfacial properties. The interfacial properties of SBR and GTR were quantitatively analyzed using molecular dynamic (MD) simulations. This study provides a theoretical foundation for enhancing the mechanical properties of recycled rubber by using nanomaterials, thereby guiding the experimental preparation of recycled rubber.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"72 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Novel fluorine-functionalized Ti3C2Tx/TiO2 hybrid coatings with enhanced weatherability, antifouling, and interfacial anticorrosion performances 新型氟功能化 Ti3C2Tx/TiO2 混合涂层具有更强的耐候性、防污性和界面防腐性能

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110361

Wenling Wu, Yinghao Chen, Juan Ji, Xiaoyan Wang, Xuan Zhang, Yang cheng, Haoyuan Xi, Jiang Guo, Jianfeng Zhu

{"title":"Novel fluorine-functionalized Ti3C2Tx/TiO2 hybrid coatings with enhanced weatherability, antifouling, and interfacial anticorrosion performances","authors":"Wenling Wu, Yinghao Chen, Juan Ji, Xiaoyan Wang, Xuan Zhang, Yang cheng, Haoyuan Xi, Jiang Guo, Jianfeng Zhu","doi":"10.1016/j.mtcomm.2024.110361","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110361","url":null,"abstract":"As a valuable symbol of human cultural heritage, bronze inevitably endures varying degrees of corrosion due to environmental change. Thus, developing an efficient protective coating for bronze is crucial to ensure bronze relics receive more protection. Herein, a multifunctional organic-inorganic hybrid composite coating of 1 H,1 H,2 H,2 H-Perfluorodecyltriethoxysilane (PFDTES), TiCT nanosheets and TiO nanoparticles (PFDTES@TiCT/TiO) are successfully prepared and coated the bronze, which exhibits excellent anti-corrosion, weathering stability and superhydrophobicity. The superhydrophobicity of coating is derived from introducing a low surface energy C-F bond. Furthermore, the corrosion protection ability can be improved by the barrier effect of TiCT nanosheets, and TiO nanoparticles can enhance the weathering stability of coatings by providing exceptional abrasion resistance and ultraviolet (UV) resistance capabilities. Morphological examination, X-ray photoelectron spectroscopy, an accelerated aging test, and electrochemical measurements, among other methods, were used to research the protective effect and anticorrosion performance of organic-inorganic hybrid coatings. It can be found that the composite coatings have a large water contact angle (153°) and form a superhydrophobic surface. Furthermore, electrochemical results show that the superhydrophobic PFDTES@TiCT/TiO coating has a higher low-frequency impedance modulus and lower current density than the uncoated substrate, indicating enhanced corrosion resistance. Based on solid and liquid pollutant tests, the PFDTES@TiCT/TiO coatings also showed good self-cleaning and antifouling properties. And coating maintained good transparency without changing the bronze color and appearance. In conclusion, the superhydrophobic PFDTES@TiCT/TiO composite coating has potential applications in the field of bronze protection.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"33 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of the electric field on the electronic structure of flat hexagonal two-dimensional GaN bilayers 电场对平面六边形二维氮化镓双层膜电子结构的影响

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110356

R.A. Reyna-Lara, J.D. Correa, K.A. Rodríguez-Magdaleno, F.M. Nava-Maldonado, M.E. Mora-Ramos, J.C. Martínez-Orozco

{"title":"Influence of the electric field on the electronic structure of flat hexagonal two-dimensional GaN bilayers","authors":"R.A. Reyna-Lara, J.D. Correa, K.A. Rodríguez-Magdaleno, F.M. Nava-Maldonado, M.E. Mora-Ramos, J.C. Martínez-Orozco","doi":"10.1016/j.mtcomm.2024.110356","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110356","url":null,"abstract":"Two-dimensional gallium nitride materials have recently garnered significant attention due to their promising optoelectronic properties, chemical stability, and mechanical strength. These attributes make them attractive for various technological applications, particularly optoelectronics, photonics, sensors, and more recently for high-power electronic applications. Our research, using first-principles calculations based on density functional theory (DFT) considering different exchange–correlation functionals, including van der Waals interaction, investigated the electronic properties of a single GaN monolayer and five different stacking configurations of GaN bilayers. The aim is to characterize the electronic properties of 2D-GaN-based materials and explore the impact of external electric fields on the bilayer stacking bandgap. We report the energetically most favorable among the bilayer configurations analyzed. Additionally, we confirmed that it is possible to modulate the energy bandgap both by the type of bilayer stacking and by the effect of the electric field. The ability to tune the energy bandgap () in 2D-GaN-based materials by adjusting their geometric configuration or applying an external electric field could inspire new applications in various technological fields.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"37 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Discovering the potential of biomaterial-based mesoporous and magneto-luminescent nanohybrid (Nd-doped Hydroxyapatite/Fe3O4) for cancer theragnosis 发现基于生物材料的介孔磁发光纳米杂化物（掺钕羟基磷灰石/Fe3O4）在癌症诊断中的潜力

IF 3.8 3区材料科学

Materials Today Communications Pub Date : 2024-09-07 DOI: 10.1016/j.mtcomm.2024.110299

Prakhar Sengar, Kanchan Chauhan, Wencel De la Cruz, Ana G. Rodríguez‑Hernández, Gustavo A. Hirata

{"title":"Discovering the potential of biomaterial-based mesoporous and magneto-luminescent nanohybrid (Nd-doped Hydroxyapatite/Fe3O4) for cancer theragnosis","authors":"Prakhar Sengar, Kanchan Chauhan, Wencel De la Cruz, Ana G. Rodríguez‑Hernández, Gustavo A. Hirata","doi":"10.1016/j.mtcomm.2024.110299","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110299","url":null,"abstract":"Multimodality nanoplatforms play a crucial role in advancing medical interventions by integrating multiple functionalities into a single system. However, issues like intricate production processes and biocompatibility persist. Herein, a facile synthesis of a biomaterial-based mesoporous nanocarrier, HAp:Nd+SPIONs@mSiO is reported. The nanohybrid with ∼100 nm average size, comprised of Nd-doped hydroxyapatite (HAp:Nd) nanophosphor, FeO superparamagnetic iron oxide nanoparticles (SPIONs), and mesoporous silica, exhibiting magneto-luminescent properties. The nanohybrid showed NIR to NIR photoluminescence properties important for deep tissue imaging. The mesoporous nanohybrid was loaded with Indocyanine green (ICG), a photosensitizer and photothermal dye, as a model drug (∼6 μg/mg of nanoparticles) with a high absorption stability retaining >75 % drug until 24 h incubation in pH 6 and 7.4, respectively. Nanoparticles demonstrated dual functionality by generating heat through magnetic and photonic stimulation, as well as producing reactive oxygen species (ROS) upon excitation with 808 nm light. In vitro assays on aggressive triple-negative breast cancer cells (MDA-MB-231) showed the high biocompatibility of nanohybrid with and without ICG, while a significant toxicity was seen after irradiation of NIR light due to ROS production. Noticeably, the nanohybrids also exhibit the ability to monitor temperature changes via Nd associated NIR luminescence. The nanoplatform integrates clinically relevant components like hydroxyapatite, SPIONs, mesoporous silica and ICG, highlighting its potential for translational applications. The developed nanohybrids, with combined NIR-mediated photothermal and photodynamic effects, magnetic photothermal capabilities, and NIR/MR imaging, offer promise in addressing cancer heterogeneity and improving conventional treatments with reduced side effects.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"8 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0