Materials Today Physics最新文献_第4页

Intelligent hybrid hydrogel with nanoarchitectonics for water harvesting from acidic fog 利用纳米结构的智能混合水凝胶从酸雾中收集水分

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-21 DOI: 10.1016/j.mtphys.2024.101574

Wenle Pei, Xiaoliang Pei, Zhuangzhuang Xie, Shaoheng Liu, Jianmei Wang

{"title":"Intelligent hybrid hydrogel with nanoarchitectonics for water harvesting from acidic fog","authors":"Wenle Pei, Xiaoliang Pei, Zhuangzhuang Xie, Shaoheng Liu, Jianmei Wang","doi":"10.1016/j.mtphys.2024.101574","DOIUrl":"10.1016/j.mtphys.2024.101574","url":null,"abstract":"<div><div>With the development of society, the demand for water resources has risen has increased sharply, and water shortage is becoming a huge challenge to mankind. Therefore, it is extremely urgent to develop a convenient, low-cost, and environmentally friendly fog harvesting material. In this work, inspired by lotus stem with efficient water transport characteristics, the intelligent hybrid hydrogel (IHH) synergistically combines the characteristics of the pH-sensitive PDMAEMA polymer chain and thermo-switchable PNIPAM polymer chain, which simultaneously realizes superior efficient acidic fog uptake (∼6.5 g/g), high-density acidic fog storage, ultra-fast clean water releasing in the efficiency of ∼90 % for 12 min at 60 °C and high cycling stability (∼25 cycles). It is mainly attributed that the amine groups of the PDMAEMA chains are protonated under acidic state, and further the hydration is enhanced, and thus resulting the hydrogel to absorb the acid fog and swell. The PNIPAM polymer can achieve a rapidly reversible phase transition from a hydrophilic state to a hydrophobic one when the temperature beyond LCST, achieving the water releasing quickly. This IHH achieves preliminary water purification, which converts the harvested acidic fog into clean water as the freshwater generator. The IHH offers an insight into the design of novel materials that serve as the freshwater generator in complex environments of practical applications such as fog harvesting devices or systems.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101574"},"PeriodicalIF":10.0,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 effect of lone-pair electron and atomic distortion in introducing anomalous phonon transport in layered PbXSeF (X= Cu, Ag) compounds with low lattice thermal conductivity 孤对电子和原子畸变在具有低晶格热导率的层状 PbXSeF（X= 铜、银）化合物中引入反常声子输运的协同效应

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-18 DOI: 10.1016/j.mtphys.2024.101572

Peng Ai , Shuwei Tang , Da Wan , Wanrong Guo , Hao Wang , Pengfei Zhang , Tuo Zheng , Shulin Bai

{"title":"Synergistic effect of lone-pair electron and atomic distortion in introducing anomalous phonon transport in layered PbXSeF (X= Cu, Ag) compounds with low lattice thermal conductivity","authors":"Peng Ai , Shuwei Tang , Da Wan , Wanrong Guo , Hao Wang , Pengfei Zhang , Tuo Zheng , Shulin Bai","doi":"10.1016/j.mtphys.2024.101572","DOIUrl":"10.1016/j.mtphys.2024.101572","url":null,"abstract":"<div><div>Using first-principles calculations, self-consistent phonon theory and Boltzmann transport theory, the crystal structure, phonon and electronic transport, and thermoelectric (TE) properties of PbXSeF (X = Cu, Ag) compounds are comprehensive explored in the current work. The heterogeneous bonding characteristics along the in-plane and out-of-plane directions lead to low lattice thermal conductivities in PbXSeF (X = Cu, Ag) compounds. The low lattice thermal conductivity is primarily attributed to strong anharmonicity caused by the lone-pair electrons of Pb. Notably, the PbCuSeF compound, despite the lighter mass in comparison with PbAgSeF, exhibits relatively lower lattice thermal conductivity. Such finding can be attributed to the distortion introduced by Cu atom, which leads to strong quartic anharmonicity, and thereby suppressing the heat-carrying phonons through the rattling-like behavior of Cu atom. The lone-pair electrons of Pb<sup>2+</sup> and the heterogeneous bonding characteristics in PbXSeF (X = Cu, Ag) compounds contribute the multi-valley band degeneracy, resulting the decoupling of Seebeck coefficient and electrical conductivity with carrier concentration while generating in a high power factor. Our current work not only illustrates the fundamental insights into the low lattice thermal conductivity and related anomaly of layered PbXSeF (X = Cu, Ag) compounds based on the four-phonon scattering and multiple carrier scattering rates, but also highlights the anisotropic feature of electronic and thermal transport properties.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101572"},"PeriodicalIF":10.0,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142450025","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Rational design of MnCoGe alloys for enhanced magnetocaloric performance and reduced thermal hysteresis 合理设计锰钴锗合金以提高磁致性能并减少热滞后

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-18 DOI: 10.1016/j.mtphys.2024.101573

Rongcheng Li , Chenghao Xie , Yicheng Wang , Bowen Jin , Jiushun Zhu , Xinfeng Tang , Gangjian Tan

{"title":"Rational design of MnCoGe alloys for enhanced magnetocaloric performance and reduced thermal hysteresis","authors":"Rongcheng Li , Chenghao Xie , Yicheng Wang , Bowen Jin , Jiushun Zhu , Xinfeng Tang , Gangjian Tan","doi":"10.1016/j.mtphys.2024.101573","DOIUrl":"10.1016/j.mtphys.2024.101573","url":null,"abstract":"<div><div>MnCoGe alloys are widely recognized as an important family of rare-earth-free magnetocaloric materials by engineering its magnetostructural coupling for giant entropy changes. However, its practicability for magnetic refrigeration is largely hindered by the large thermal hysteresis. In this work, we show that the co-doped MnCoGe compound, namely Mn<sub>0.95</sub>Cu<sub>0.03</sub>CoGe with 2 both mol% Mn vacancies and 3 mol% Cu-doping for Mn, displays a maximum entropy change of 29.0 J kg<sup>−1</sup>K<sup>−1</sup> at 295 K under a magnetic field of 5 T, together with a relative cooling power as high as 314.5 J kg<sup>−1</sup> and a record low thermal hysteresis of 16 K. The co-doping strategy in MnCoGe finely tunes the structural transition temperature within the range of Curie temperature window, leading to a strong magnetostructural coupling and giant magnetocaloric effect. Meanwhile, Mn-deficiency and Cu-doping considerably reduce the energy difference between martensitic and austenitic MnCoGe, rendering a minimal thermal hysteresis. Our co-doped MnCoGe alloys are robust candidates for near-room-temperature magnetic refrigeration.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101573"},"PeriodicalIF":10.0,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142450024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Superior bendability enabled by inherent in-plane elasticity in Bi2Te3 thermoelectrics 利用 Bi2Te3 热电材料固有的面内弹性实现卓越的可弯曲性

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-16 DOI: 10.1016/j.mtphys.2024.101570

Yixin Hu , Xinyi Shen , Zhiwei Chen, Min Liu, Xinyue Zhang, Long Yang, Jun Luo, Wen Li, Yanzhong Pei

{"title":"Superior bendability enabled by inherent in-plane elasticity in Bi2Te3 thermoelectrics","authors":"Yixin Hu , Xinyi Shen , Zhiwei Chen, Min Liu, Xinyue Zhang, Long Yang, Jun Luo, Wen Li, Yanzhong Pei","doi":"10.1016/j.mtphys.2024.101570","DOIUrl":"10.1016/j.mtphys.2024.101570","url":null,"abstract":"<div><div>With the rapid development of modern wearable electronics, powerful and deformable thermoelectric generators have become an urgent need as the power units that convert environmental or body heat into electricity. Existing efforts mostly focused on the assistance for deformability by substrates/additives, the resultant devices usually output much less power and showed very poor power retainment. Elasticity is inherent to all solids, which therefore offers an intrinsic solution for making thermoelectrics deformable without compromise in power output because of its full recoverability. This work demonstrates this in best-performing (Bi, Sb)<sub>2</sub>(Te, Se)<sub>3</sub> thermoelectrics near room temperature, ending up in the film devices with both extraordinary power density and robust recoverable bendability. This originates from the inherent large elasticity for the in-plane orientation, which is enabled by an easy tape stripping approach for the Van der Waals layered structure, allowing the realization of both powerfulness and bendability that are equally important for wearable thermoelectrics.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101570"},"PeriodicalIF":10.0,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142439310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Building TiO2-Ti3C2Tx heterojunction by microwave-assisted hydrothermal as an amphiphilic nanoreactor for high-performance lithium sulfur batteries 通过微波辅助水热法构建 TiO2-Ti3C2Tx 异质结，作为高性能锂硫电池的两性纳米反应器

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-16 DOI: 10.1016/j.mtphys.2024.101571

Yu Jiang , Rong Yang , Lei Mao , Guozhuang Gao , Chaojiang Fan , Bailing Jiang , Haochen Liu , Yinglin Yan

{"title":"Building TiO2-Ti3C2Tx heterojunction by microwave-assisted hydrothermal as an amphiphilic nanoreactor for high-performance lithium sulfur batteries","authors":"Yu Jiang , Rong Yang , Lei Mao , Guozhuang Gao , Chaojiang Fan , Bailing Jiang , Haochen Liu , Yinglin Yan","doi":"10.1016/j.mtphys.2024.101571","DOIUrl":"10.1016/j.mtphys.2024.101571","url":null,"abstract":"<div><div>The adoption of lithium-sulfur (Li-S) batteries faces significant obstacles due to the notorious lithium polysulfides (LiPSs) shuttle effect and sluggish electrochemical reaction kinetics. To tackle these issues, MXene, with the unique layered structures and metal centers, have emerged as promising additives in Li-S batteries, effectively hindering the migration of polysulfides through physical and chemical confinement mechanisms. However, MXenes inherently lack robust anchoring sites for LiPSs, leading to suboptimal cycle stability. Here, TiO<sub>2</sub>-Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> (TT) heterojunction derived from MXene is constructed by the microwave-assisted hydrothermal (MAH). This innovative TT composite incorporates an amphiphilic nanoreactor that synergistically adsorbs, catalyzes LiPSs, and stabilizes the lithium anode in Li-S batteries. The optimally exposed surface of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> and nano-sized TiO<sub>2</sub> within the TT architecture collaborate to “conduct, adsorb and transform” LiPSs, while the heterogeneous interface and crumpled sheets provide an efficient three-dimensional transport pathway for Li<sup>+</sup> in the electrolyte, collaboratively enhancing the stability of Li-S batteries. Therefore, the TT-160 as an interlayer for Li-S battery exhibits an ultra-low capacity attenuation of each cycle of 0.022 % after 1000 cycles at 2 C. Furthermore, the conductive interlayer facilitates a uniform distribution of Li<sup>+</sup> transport, enabling a Li//Li symmetric cell assembled with TT-160 to achieve remarkable stability over 1000 h. This work pioneeringly demonstrates the potential of MXene-derived TiO<sub>2</sub>-Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> heterojunction, synthesized via MAH for high-performance Li-S batteries, opening up new avenues for material design and optimization.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101571"},"PeriodicalIF":10.0,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142439309","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Revealing interfacial degradation of Bi2Te3-based micro thermoelectric device under current shocks 揭示电流冲击下基于 Bi2Te3 的微型热电器件的界面降解现象

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-11 DOI: 10.1016/j.mtphys.2024.101569

Jianan Lyu , Dongwang Yang , Mingqi Zhang , Yutian Liu , Ziao Wang , Zinan Zhang , Gang Zhan , Chenyang Li , Yuting Wang , Weijie Gou , Yunfei Gao , Chengyu Li , Jinsong Wu , Xinfeng Tang , Yonggao Yan

{"title":"Revealing interfacial degradation of Bi2Te3-based micro thermoelectric device under current shocks","authors":"Jianan Lyu , Dongwang Yang , Mingqi Zhang , Yutian Liu , Ziao Wang , Zinan Zhang , Gang Zhan , Chenyang Li , Yuting Wang , Weijie Gou , Yunfei Gao , Chengyu Li , Jinsong Wu , Xinfeng Tang , Yonggao Yan","doi":"10.1016/j.mtphys.2024.101569","DOIUrl":"10.1016/j.mtphys.2024.101569","url":null,"abstract":"<div><div>Micro thermoelectric devices (micro-TEDs) offer great potential for IoT and electronic thermal management. However, they face challenges with reliability under high current densities. This study elucidates the failure mechanisms of Bi<sub>2</sub>Te<sub>3</sub>-based micro-TEDs subjected to current shocks. Experimental results indicate that at a high current density of 1800 A/cm<sup>2</sup>, the internal resistance of micro-TEDs increased by 12.9 % to 2.034 Ω. This led to a 52.0 % decrease in maximum output power at a 20 K temperature difference, dropping to 1.53 mW. Additionally, as the frequency of ON/OFF current applied to micro-TED increases, the resistance growth rate jumped from 0.764 mΩ/h for slow power cycling to 2.328 mΩ/h for fast power cycling. This indicates that higher cycling frequencies exacerbate the degradation of the device. In-situ TEM analysis revealed that current-induced elemental diffusion and electrical stress release led to the formation of NiTe<sub>2</sub> nanoparticles and intergranular fractures within the Bi<sub>2</sub>Te<sub>3</sub> materials. These results indicate that interfacial degradation and subsequent grain delamination are primary causes to micro-TED failure under current shocks. These findings underscore the significance of considering electrical stress in micro-TED design to enhance reliability and performance for high-power applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101569"},"PeriodicalIF":10.0,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142405002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Effect of magnetic entropy in the thermoelectric properties of Fe-doped Fe2VAl full-Heusler alloy 磁熵对掺铁的 Fe2VAl 全赫斯勒合金热电性能的影响

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-11 DOI: 10.1016/j.mtphys.2024.101568

Tarachand , N. Tsujii , F. Garmroudi , E. Bauer , T. Mori

{"title":"Effect of magnetic entropy in the thermoelectric properties of Fe-doped Fe2VAl full-Heusler alloy","authors":"Tarachand , N. Tsujii , F. Garmroudi , E. Bauer , T. Mori","doi":"10.1016/j.mtphys.2024.101568","DOIUrl":"10.1016/j.mtphys.2024.101568","url":null,"abstract":"<div><div>The effect of spin entropy on the transport of heat/charge carriers in the Fe-doped full-Heusler alloy Fe<sub>2+<em>x</em></sub>VAl<sub>1-<em>x</em></sub> with <em>x</em> = 0–0.1 has been studied through low-temperature magnetic and thermoelectric measurements. Magnetization (<em>M</em>) measurements confirm itinerant-electron weak-ferromagnetic behavior. A systematic increase of the magnetic transition temperature <em>T</em><sub>C</sub> (from 40 K to 223 K) and of the saturation magnetization (from 0.13 to 0.41μ<sub>B</sub>/Fe) with increasing Fe doping (from <em>x</em> = 0 to 0.1) is observed. Applying a magnetic field causes significant suppression of the Seebeck coefficient (<em>S</em>) and the entropy term (<em>S/T</em>) with a negative magnetoresistance near <em>T</em><sub>C</sub> for all weak-ferromagnetic samples, demonstrating a clear effect of spin fluctuations. Analyzing <em>M</em>(<em>T</em>) and <em>S(T)</em>, we rule out sizeable magnon drag contributions. A large spin fluctuations-induced enhancement in the thermoelectric power factor <em>PF</em> of about 18 % is achieved for <em>x</em> = 0.1 near <em>T</em><sub>C</sub> when compared to measurements in a magnetic field of 7 T. The actual improvement in <em>PF</em> is even much higher, as the <em>S</em> shows a significant enhancement (about 34 %) compared to the estimated diffusion term of <em>S</em>(<em>T</em>) at <em>T</em><sub>C</sub>. The number of point defects also increases with Fe doping, causing a significant reduction of the lattice thermal conductivity. This study demonstrates the role of spin fluctuations in enhancing the thermopower/thermoelectric performance of Fe-doped Fe<sub>2</sub>VAl and opens a vista for the strategy's applicability for various thermoelectric materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101568"},"PeriodicalIF":10.0,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142404975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Wrinkled layers lead to high in-plane zT values in hexagonal CaAgSb 皱褶层导致六方 CaAgSb 具有较高的面内 zT 值

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-10 DOI: 10.1016/j.mtphys.2024.101566

Juan Cui , Chengliang Xia , Huan Zheng , Miao Zheng , Dafang Li , Yue Chen , Yu Yang

{"title":"Wrinkled layers lead to high in-plane zT values in hexagonal CaAgSb","authors":"Juan Cui , Chengliang Xia , Huan Zheng , Miao Zheng , Dafang Li , Yue Chen , Yu Yang","doi":"10.1016/j.mtphys.2024.101566","DOIUrl":"10.1016/j.mtphys.2024.101566","url":null,"abstract":"<div><div>Layered thermoelectric materials (LTMs) have attracted great attention due to their anisotropic transport behaviors that provide an opportunity to disentangle the interrelated electrical and thermal conductivities. In this study, we found that hexagonal CaAgSb (h-CaAgSb) possesses a lower lattice thermal conductivity and a higher electrical conductivity simultaneously along the in-plane direction when compared with the out-of-plane direction. The low in-plane lattice thermal conductivity mainly originates from the low group velocity of longitudinal acoustic phonon modes. Meanwhile, strong anharmonicity is discovered for the low-lying optical phonon modes. On the other hand, the high in-plane electrical conductivity relies on the small effective mass. Thus, both p-type and n-type h-CaAgSb exhibit a high <em>zT</em> over 2.0 along the in-plane direction at the optimal carrier concentrations. The anisotropic transport properties of h-CaAgSb reported in this work may provide guidance to the experiments. More importantly, the physical insights revealed for the disentangled electrical and thermal transport properties may pave the way for finding other excellent LTMs and optimizing the thermoelectric performance through structure engineering.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101566"},"PeriodicalIF":10.0,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Cu−based bimetallic sites' p-d orbital hybridization promotes CO asymmetric coupling conversion to C2 products 铜基双金属位点的 p-d 轨道杂化促进 CO 不对称耦合转化为 C2 产物

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-10 DOI: 10.1016/j.mtphys.2024.101565

Jiayong Xiao , Jofrey J. Masana , Ming Qiu , Ying Yu

{"title":"Cu−based bimetallic sites' p-d orbital hybridization promotes CO asymmetric coupling conversion to C2 products","authors":"Jiayong Xiao , Jofrey J. Masana , Ming Qiu , Ying Yu","doi":"10.1016/j.mtphys.2024.101565","DOIUrl":"10.1016/j.mtphys.2024.101565","url":null,"abstract":"<div><div>Hampered by sluggish C−C coupling kinetics, the low selectivity and efficiency have limited industrial applications of CO<sub>2</sub> reduction into valuable multi-carbon products. A direct coupling of CO molecules or their coupling after hydrogenation, followed by the final synthesis of C<sub>2</sub> products, can help to overcome these limitations potentially. In this study, a detailed high-throughput screening of bimetallic site catalysts comprising copper (Cu) and 28 other metal (M) atoms was conducted. The metal atoms Cu and M were anchored on a carbon nanotube (CNT) with six nitrogen (N<sub>6</sub>) defects (CuMN<sub>6</sub>@CNT), which possesses effective dual active sites for C−C coupling. The calculated results demonstrate that the CuGaN<sub>6</sub>@CNT catalyst exhibited favorable selectivity, with low theoretical overpotentials of −0.23 and −0.34 eV for ethanol and ethylene, respectively, surpassing most reported catalysts. The synergistic effect of Ga and Cu sites, along with their <em>p</em>-<em>d</em> states hybridization, results in an enhancement of Cu's <em>d</em> state dispersion and energy barriers reduction for C−C coupling. Additionally, the strain effect of the substrate CNT exhibits a direct correlation with the catalytic performance of CuGaN<sub>6</sub>@CNT by adjusting the <em>d</em>-band center of the Cu site and <em>p</em>-band center of the Ga site. These findings provide a novel insights into the electrocatalytic reduction of CO into valuable C<sub>2</sub> products using bimetallic single atom catalyst, offering significant guidance for future research endeavors in this field.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101565"},"PeriodicalIF":10.0,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

CoFe2O4-BaTiO3 core-shell-embedded flexible polymer composite as an efficient magnetoelectric energy harvester 作为高效磁电能量收集器的 CoFe2O4-BaTiO3 芯壳嵌入式柔性聚合物复合材料

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-10-10 DOI: 10.1016/j.mtphys.2024.101567

Bitna Bae , Nagamalleswara Rao Alluri , Cheol Min Kim , Jungho Ryu , Gwang Hyeon Kim , Hyeon Jun Park , Changyeon Baek , Min-Ku Lee , Gyoung-Ja Lee , Geon-Tae Hwang , Kwi-Il Park

{"title":"CoFe2O4-BaTiO3 core-shell-embedded flexible polymer composite as an efficient magnetoelectric energy harvester","authors":"Bitna Bae , Nagamalleswara Rao Alluri , Cheol Min Kim , Jungho Ryu , Gwang Hyeon Kim , Hyeon Jun Park , Changyeon Baek , Min-Ku Lee , Gyoung-Ja Lee , Geon-Tae Hwang , Kwi-Il Park","doi":"10.1016/j.mtphys.2024.101567","DOIUrl":"10.1016/j.mtphys.2024.101567","url":null,"abstract":"<div><div>Flexible magnetoelectric (ME) generators gained immense interest due to the broad applications in wearable and Internet of Things (IoT)-based devices. The key to achieving high energy conversion performance of 0–3 type ME composite films is the prevention of filler aggregation in the polymer matrix and accessing the full potential of intrinsic properties of filler. To achieve high performance, a flexible ME composite film was fabricated by homogeneous distribution of magnetostrictive CoFe<sub>2</sub>O<sub>4</sub>-BaTiO<sub>3</sub> core-shell (CBCS) fillers into piezoelectric polyvinylidene fluoride (PVDF) polymer. The ME composite film generates an enhanced energy conversion efficiency by optimizing the shell thickness of CBCS and maximizing the electroactive β-phase at the BaTiO<sub>3</sub> shell-PVDF interfacial region. The observed ME coefficient of the film reached up to 710 mV/cm∙Oe. Multiphysics simulations based on the finite element analysis were adopted to investigate the role of BaTiO<sub>3</sub> shell thickness on the performance of ME film. This study paves the way to achieve higher filler loading content in the ME composite films to develop an efficient, flexible ME generator for eco-friendly permanent power sources.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101567"},"PeriodicalIF":10.0,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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