Journal of Materiomics最新文献_第3页

Genetic algorithm-enabled mechanical metamaterials for vibration isolation with different payloads 采用遗传算法的机械超材料用于不同有效载荷的振动隔离

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2024-10-15 DOI: 10.1016/j.jmat.2024.100944

Xinyu Song, Sen Yan, Yong Wang, Haojie Zhang, Jiacheng Xue, Tengfei Liu, Xiaoyong Tian, Lingling Wu, Hanqing Jiang, Dichen Li

引用次数: 0

Advancing piezoelectricity and excellent thermal stability: <001>-textured 0.75BF–0.25BT lead-free ceramics for high temperature applications 先进的压电性和出色的热稳定性：用于高温应用的纹理 0.75BF-0.25BT 无铅陶瓷

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2024-10-13 DOI: 10.1016/j.jmat.2024.100946

Zhangpan Shen, Jian Guo, Xiaoyi Gao, Weidong Xuan, Jiye Zhang, Dawei Wang, Jinrong Cheng, Shujun Zhang, Jianguo Chen

{"title":"Advancing piezoelectricity and excellent thermal stability: <001>-textured 0.75BF–0.25BT lead-free ceramics for high temperature applications","authors":"Zhangpan Shen, Jian Guo, Xiaoyi Gao, Weidong Xuan, Jiye Zhang, Dawei Wang, Jinrong Cheng, Shujun Zhang, Jianguo Chen","doi":"10.1016/j.jmat.2024.100946","DOIUrl":"https://doi.org/10.1016/j.jmat.2024.100946","url":null,"abstract":"There is an urgent need for piezoelectric materials possessing both high piezoelectric properties and good thermal stability to facilitate the advancement of high temperature piezoelectric devices. However, conventional strategy for enhancing piezoelectricity via chemical modifications often comes at the cost of thermal stability due to a drop in Curie temperatures. In this study, we achieved remarkable results in <001>-oriented 0.75BiFeO3–0.25BaTiO3 (0.75BF–0.25BT) lead-free textured ceramics. These textured ceramics exhibit a high Curie temperatures Tc of 552 °C, large piezoelectric coefficients d33 of 265 pC/N, and exceptional piezoelectric thermal stability, with minimal variation of 8% across temperature from 25 °C to 300 °C. Compared to randomly oriented ceramics, the piezoelectric coefficient is about 2.5 times higher, marking it as one of the highest reported value for ceramics with Tc near 550 °C. The enhanced piezoelectric properties can be ascribed to improvements in both intrinsic lattice distortions and extrinsic non-180o domain motions, while the excellent piezoelectric thermal stability is attributed to the stable domain texture. These superior properties of the studied textured 0.75BF–0.25BT ceramics position them as competitive lead-free candidates for high-temperature piezoelectric applications.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"67 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142430442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Ultrathin WOx interfacial layer improving the ferroelectricity and endurance of Hf0.5Zr0.5O2 thin films on polyimide 超薄 WOx 界面层可提高聚酰亚胺上 Hf0.5Zr0.5O2 薄膜的铁电性和耐久性

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2024-10-03 DOI: 10.1016/j.jmat.2024.100942

Chunxu Zhao, Huiping Wang, Xinyu Gu, Wei Zhang, Yubao Li

{"title":"Ultrathin WOx interfacial layer improving the ferroelectricity and endurance of Hf0.5Zr0.5O2 thin films on polyimide","authors":"Chunxu Zhao, Huiping Wang, Xinyu Gu, Wei Zhang, Yubao Li","doi":"10.1016/j.jmat.2024.100942","DOIUrl":"https://doi.org/10.1016/j.jmat.2024.100942","url":null,"abstract":"Here we report substantial effects of inserting PVD-prepared highly-conductive ultrathin WOx as interfacial layer in TiN/Hf0.5Zr0.5O2(HZO)/TiN structure on the ferroelectricity of HZO thin films. The prepared TiN/WOx/HZO/WOx/TiN capacitor, exhibiting a remnant polarization (Pr) of 18.8 μC/cm2 at 2 MV/cm and outstanding endurance of over 3.2×109 cycles under 105 Hz bipolar square field cycling. Furthermore, a scalable transfer technique, in which CVD-grown few-layered graphene thin film is used as a sacrificial layer, is developed for transferring HZO-based ferroelectric stack pre-fabricated on SiO2/Si substrate onto a flexible polyimide (PI) membrane, with marginal loss in the ferroelectric properties of HZO. Importantly, mechanical bending testing demonstrates excellent flexibility of TiN/WOx/HZO/WOx/TiN stack, with robust polarization and superb endurance properties being well-maintained even after 104 cycles at a small bending radius of 2 mm. Both implementing ultrathin WOx as interfacial layers and utilizing two-dimensional materials assisted transfer technique would be of great value in the development of HfO2-based flexible ferroelectric memory.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"223 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142374061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Synergistic functional additives on cycling performance of silicon-carbon composite anode in pouch cells 功能添加剂对袋式电池中硅碳复合阳极循环性能的协同作用

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2024-09-25 DOI: 10.1016/j.jmat.2024.100941

Jun Cheng, Zhenyu Huang, Anqi Lu, Aiqi He, Yuxuan Shao, Yuxin Fan, Yunhui Huang

{"title":"Synergistic functional additives on cycling performance of silicon-carbon composite anode in pouch cells","authors":"Jun Cheng, Zhenyu Huang, Anqi Lu, Aiqi He, Yuxuan Shao, Yuxin Fan, Yunhui Huang","doi":"10.1016/j.jmat.2024.100941","DOIUrl":"https://doi.org/10.1016/j.jmat.2024.100941","url":null,"abstract":"With increasing application demands of electronics and electric vehicles, the energy density of lithium-ion batteries (LIBs) is expected to be higher and higher. The silicon-based anode materials have triggered global research interest due to low operating voltage and high specific capacity. However, for the Si-based anode, the large volume change during cycling causes cracking and pulverization of Si particles, leading to the sluggish kinetics and poor cycle life. In this work, fluoroethylene carbonate (FEC) and lithium bis(fluorosulfonyl)imide (LiFSI) are used as synergistic functional additives to enhance the performance of silicon–carbon (Si–C) composite anode in pouch cell. The properties of solid electrolyte interphase (SEI) formed on the surface of Si–C composite anode have been systematically investigated. The images of different electrolytes infiltration and gas production after formation are analyzed with ultrasonic transmission scanning technique. DFT calculations are used to illustrate the mechanism. All date collection is at pouch cell level, which is more persuasive.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"129 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142360660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Air-stable silicon hybrid solar cells constructed via hydrophobic polymer film 通过疏水性聚合物薄膜构建空气稳定硅混合太阳能电池

IF 8.4 1区材料科学

Journal of Materiomics Pub Date : 2024-08-31 DOI: 10.1016/j.jmat.2024.100935

Qi Geng , Zhen Liu , Yuzhou Liu , Zhe Wang , Zhongliang Gao , Xin Sun , Yingfeng Li , Lei Chen , Xiaojun Lv , Meicheng Li

{"title":"Air-stable silicon hybrid solar cells constructed via hydrophobic polymer film","authors":"Qi Geng , Zhen Liu , Yuzhou Liu , Zhe Wang , Zhongliang Gao , Xin Sun , Yingfeng Li , Lei Chen , Xiaojun Lv , Meicheng Li","doi":"10.1016/j.jmat.2024.100935","DOIUrl":"10.1016/j.jmat.2024.100935","url":null,"abstract":"<div><div>Silicon (Si) hybrid solar cells have advantages of solution manufacturing process and the potential for achieving low-cost fabrication compared to crystalline Si solar cells. However, the functional layer prepared by solution method usually absorbs water molecules from the air, posing a challenge to the stability of the device. Here, a PEDOT derivative, PEDOT:A, was in situ prepared through the introduction of a fluoropolymer, yielding a strongly hydrophobic film that was assembled into a PEDOT:A/Si hybrid solar cell. The PEDOT:A/Si hybrid solar cells retained 90% of its initial performance after storage in the air for 300 h, while PEDOT:PSS only retained 60% with identical device structure. Meanwhile, first principles calculations indicate that the binding energy between fluoropolymer and water molecule was 3.48 kJ/mol, whereas the binding energy between PSS and water molecule was −5.76 kJ/mol. Benefiting from the weak interaction between fluoropolymer and water molecule, the contact angle of water on PEDOT:A film was 100.84°. After optimization, PEDOT:A/Si hybrid solar cells with ITO achieved a power conversion efficiency of 6.43%, retained 97% of its initial efficiency after testing under same conditions. The development of air-stable hybrid device technology is promising in opening up practical applications of low-cost Si based solar cells.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100935"},"PeriodicalIF":8.4,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unveiling the structure–activity relationships of tetracycline degradation by photocatalytic activation peroxymonosulfate of CuBi2O4 microspheres: DFT calculation and mechanism insight 揭示 CuBi2O4 微球光催化活化过硫酸盐降解四环素的结构-活性关系：DFT 计算与机理研究

IF 8.4 1区材料科学

Journal of Materiomics Pub Date : 2024-08-30 DOI: 10.1016/j.jmat.2024.100934

Jin Wang , Jiaming Li , Yuan Li, Gaoke Zhang

{"title":"Unveiling the structure–activity relationships of tetracycline degradation by photocatalytic activation peroxymonosulfate of CuBi2O4 microspheres: DFT calculation and mechanism insight","authors":"Jin Wang , Jiaming Li , Yuan Li, Gaoke Zhang","doi":"10.1016/j.jmat.2024.100934","DOIUrl":"10.1016/j.jmat.2024.100934","url":null,"abstract":"<div><div>Achieving efficient photocatalytic activation of peroxymonosulfate (PMS) degradation of pollutants through the regulation strategy of surface microstructure in catalysts remains a challenge. Herein, CuBi2O4 nanorods (CBO NRs) and CuBi2O4 microspheres (CBO Ms) were synthesized by simply regulating the alkalinity of the reaction solvent. Under full–spectrum irradiation, CBO Ms exhibited remarkable photocatalytic performance, removing 92.48% of tetracycline (TC) within 12 min, with the reaction rate constant reaching 0.2135 min−1, which is approximately 2.7 times that of CBO NRs (0.0798 min−1). The exposure of oxygen vacancies on the surface of CBO Ms significantly promoted the generation and migration of photogenerated carriers internally, accelerated charge accumulation at the Cu active sites on the surface, and thereby enhanced the adsorption of CBO Ms on PMS. The charge density difference results confirmed the rapid transference of surface–enriched electrons to the PMS, facilitating further activation of PMS. Radical quenching experiment and EPR testing verified that both radical (SO4•−, •OH) and non–radical (1O2) pathways were involved in the reaction system. This study offers novel insights into the design of catalysts for the photocatalytic activation of PMS to efficiently degrade environmental pollutants.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100934"},"PeriodicalIF":8.4,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced photocatalytic hydrogen production through tuning charge transfer in TiO2/CdSxSe1–x-DETA nanocomposites with S-scheme heterojunction structure 通过调整具有 S 型异质结结构的 TiO2/CdS Se1-DETA 纳米复合材料中的电荷转移提高光催化制氢能力

IF 8.4 1区材料科学

Journal of Materiomics Pub Date : 2024-07-27 DOI: 10.1016/j.jmat.2024.06.010

Aoyun Meng , Renqiang Yang , Wen Li , Zhen Li , Jinfeng Zhang

{"title":"Enhanced photocatalytic hydrogen production through tuning charge transfer in TiO2/CdSxSe1–x-DETA nanocomposites with S-scheme heterojunction structure","authors":"Aoyun Meng , Renqiang Yang , Wen Li , Zhen Li , Jinfeng Zhang","doi":"10.1016/j.jmat.2024.06.010","DOIUrl":"10.1016/j.jmat.2024.06.010","url":null,"abstract":"<div><div>In addressing the severe energy crisis, adopting efficient and reliable strategies is crucial. Photocatalysis technology, utilizing solar energy to convert it into hydrogen, offers an effective pathway to alleviate energy issues. In this study, we have successfully developed the TiO2/CdSxSe1–x-Diethylenetriamine (abbreviated as DETA) nanocomposites with an S-scheme heterojunction structure. By precisely adjusting the value of x (x = 0, 0.25, 0.50, 0.75 or 1.00), we optimized the charge transfer process, achieving efficient photocatalytic hydrogen evolution reaction. Specifically, the sample containing 20% (in mass) TiO2, denoted as 20-TO, exhibited the best photocatalytic activity. In particular, the activity of 20% (in mass) TiO2/CdS0.25Se0.75-DETA (abbreviated as 20-TO/CS0.25E0.75) reached 32.7 mmol·g−1·h−1, maintaining high hydrogen evolution performance over ten consecutive cycles (totaling 40 h). We used electron paramagnetic resonance (EPR), ultraviolet–visible diffuse reflectance spectroscopy (UV–Vis DRS), femtosecond transient absorption spectroscopy (fs-TAS) and theoretical calculations to comprehensively confirm that the heterojunctions in all nanocomposites conform to the S-scheme mechanism. This mechanism provides an optimal path for charge transfer. Comparative analysis through theoretical calculations revealed that the charge transfer efficiency between TO and CS0.25E0.75 was the highest, which correlates well with the experimental results of photocatalytic hydrogen evolution. This innovative nanocomposites enhances new energy technologies with its efficient charge transfer.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":""},"PeriodicalIF":8.4,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141839896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Engineering BiOBr/TpBD-COF S-scheme heterointerface via phase transformation strategy for boosted photocatalytic hydrogen generation 通过相变策略设计 BiOBr/TpBD-COF S 型异质界面，促进光催化制氢

IF 8.4 1区材料科学

Journal of Materiomics Pub Date : 2024-07-26 DOI: 10.1016/j.jmat.2024.07.004

Huili Ran , Xue Liu , Jiajie Fan , Yun Yang , Lijie Zhang , Qin Guo , Bicheng Zhu , Quanlong Xu

{"title":"Engineering BiOBr/TpBD-COF S-scheme heterointerface via phase transformation strategy for boosted photocatalytic hydrogen generation","authors":"Huili Ran , Xue Liu , Jiajie Fan , Yun Yang , Lijie Zhang , Qin Guo , Bicheng Zhu , Quanlong Xu","doi":"10.1016/j.jmat.2024.07.004","DOIUrl":"10.1016/j.jmat.2024.07.004","url":null,"abstract":"<div><div>The construction of heterojunction is an effective way to promote the photoinduced charge carrier separation in spatial, thus accelerating the photocatalytic reaction. However, the regulation of interface properties, as a crucial factor in affecting the charge carrier diffusion process, still remains a significant challenge. In this work, BiOBr/TpBD-COF heterojunction was successfully constructed via a novel phase transformation strategy. Specifically, perovskite Cs3Bi2Br9 was first synthesized and then in-situ transformed into BiOBr during the preparation of TpBD-COF procedure, thus obtaining BiOBr/TpBD-COF heterojunction with favorable interface. According to the in-situ X-ray photoelectron spectroscopy (XPS) characterization and electron paramagnetic resonance (EPR) analysis, the photogenerated electrons with weak reduction power transfer from BiOBr to TpBD-COF driven by the internal electric field under irradiation, conforming to S-scheme charge transfer mode. As a result, the photogenerated electrons and holes with strong redox abilities are spatially located on TpBD-COF and BiOBr surface, respectively, endowing the strong driving force toward the water splitting reaction. The optimized 10%BiOBr/TpBD-COF displayed remarkably enhanced photocatalytic hydrogen evolution rate (16.17 mmol⋅g−1⋅h−1) in comparison with TpBD-COF (5.18 mmol⋅g−1⋅h−1). This study will provide some novel inspirations for developing efficient COF-based S-scheme heterojunction photocatalysts.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":""},"PeriodicalIF":8.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141848492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nacre-mimetic alternating architecture of AgSnO2 contact: Highly-efficient synergistic enhancement of in-situ self-repairing erosion resistance and naturally evolving impact resistance Ag-SnO2接触的珍珠层模拟交替结构：高效协同增强原位自修复抗侵蚀性和自然演化抗冲击性

IF 8.4 1区材料科学

Journal of Materiomics Pub Date : 2024-07-20 DOI: 10.1016/j.jmat.2024.06.009

Changhu Xu , Kai Wen , Zhe Wang , Jun Wang , Hailin Lu , Zesen Mao , Tianci Mao , Chongqing Fan , Jun Li

{"title":"Nacre-mimetic alternating architecture of AgSnO2 contact: Highly-efficient synergistic enhancement of in-situ self-repairing erosion resistance and naturally evolving impact resistance","authors":"Changhu Xu , Kai Wen , Zhe Wang , Jun Wang , Hailin Lu , Zesen Mao , Tianci Mao , Chongqing Fan , Jun Li","doi":"10.1016/j.jmat.2024.06.009","DOIUrl":"10.1016/j.jmat.2024.06.009","url":null,"abstract":"<div>Synergistically enhancing the erosion and impact resistance of contacts poses a significant challenge for cutting-edge electrical equipment. Fortunately, mollusk shells in nature have evolved effective strategies to construct microstructures with superior erosion and impact resistance. Inspired by the structure of nacre, Ag<img>SnO2 contact material with hierarchical architectures has been designed and fabricated. The mechanistic link between microstructural evolution and dynamic erosion is studied through experiments combined with Computational Fluid Dynamics (CFD) and Finite Element Method (FEM) simulations. Results show that the reconstructed SnO2 skeleton endowed with a highly continuous and anisotropic ‘flowering'-like structure forms a continuous interpenetrating network with Ag, optimizing the conductive pathways on the molten pool surface. Additionally, the Ag-rich regions in the deeper layers on both sides of the molten pool offers a stable ‘nutrient-supply’ for the continuous ‘flowering’ reconstruction of the skeleton, exhibiting excellent in-situ self-repairing erosion resistance. Benefiting from this synergistic strategy, this skeleton is reconstructed based on its natural structure, which further disperses the stress and deformation concentration while inhibiting interfacial debonding, thereby reducing the formation of cracks and significantly enhancing the impact resistance. This work is expected to breakthrough erosion and impact resistance in extreme condition electrical contact materials through biomimetic microstructure design.</div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 1","pages":"Article 100914"},"PeriodicalIF":8.4,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352847824001539/pdfft?md5=a9f3f7b77387fea340e0fd458fe17baa&pid=1-s2.0-S2352847824001539-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141838871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Site preference of Ni in Pb(Fe1/2Nb1/2)O3 during additive compositional modification 添加剂成分改性过程中 Pb(Fe1/2Nb1/2)O3 中 Ni 的位点偏好

IF 8.4 1区材料科学

Journal of Materiomics Pub Date : 2024-07-05 DOI: 10.1016/j.jmat.2024.06.004

Ahrom Ryu , Ji-Hun Park , Dong Won Jeon , Jae-Hyeon Cho , Haena Yim , Keun Hwa Chae , Seong H. Kim , Sahn Nahm , Sung Beom Cho , Wook Jo , Ji-Won Choi

{"title":"Site preference of Ni in Pb(Fe1/2Nb1/2)O3 during additive compositional modification","authors":"Ahrom Ryu , Ji-Hun Park , Dong Won Jeon , Jae-Hyeon Cho , Haena Yim , Keun Hwa Chae , Seong H. Kim , Sahn Nahm , Sung Beom Cho , Wook Jo , Ji-Won Choi","doi":"10.1016/j.jmat.2024.06.004","DOIUrl":"10.1016/j.jmat.2024.06.004","url":null,"abstract":"<div><div>Doping and substitution methods are predominantly employed in the synthesis of ceramics to achieve their desired functional properties. We studied the behavior of excessive dopants in addition to an existing stoichiometric composition using a high-throughput continuous compositional spread sputtering method. We paid attention to the possible formation of thermodynamically unstable phases by the addition of an excessive amount of dopants. We showed that even when dopants were added as an additive, they dissolved into the existing lattice due to the benefit of the entropy of mixing. Regardless of excessiveness, all added elements incorporated into the lattice, stabilized by the tolerance factor. We also demonstrated our findings exemplarily with lead iron niobate to induce magnetic properties alongside inherent ferroelectricity (MS = 10 emu/cm3, PS = 16 μC/cm2). We compare the results from CCS with those from the non-additive solid-state method, leading to a conclusion that the benefit from the entropy of mixing allows foreign elements to substitute for the elements initially residing in the lattice to a degree in compliance with the Goldschmidt tolerance factor. This observation was confirmed by a density functional theory calculation. We anticipate that our study could necessitate intensive research on achieving desired composition through industry-friendly processing.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100907"},"PeriodicalIF":8.4,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141714027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0