Materials Today Physics最新文献

{"title":"Corrigendum to <“Topological Materials for Near-Field Radiative Heat Transfer”> <[Materials Today Physics, Volume 46, August 2024, 101489]>","authors":"Azadeh Didari-Bader, Seonyeong Kim, Heejin Choi, Sunae Seo, Piyali Biswas, Heejeong Jeong, Chang-Won Lee","doi":"10.1016/j.mtphys.2024.101629","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101629","url":null,"abstract":"The authors regret Author Contributions are missing.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"201 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857908","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}

{"title":"API Phonons: Python Interfaces for Phonon Transport Modeling","authors":"Xin Qian, Guanda Quan, Te-Huan Liu, Ronggui Yang","doi":"10.1016/j.mtphys.2024.101630","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101630","url":null,"abstract":"API Phonons is a Python software package to predict the transport dynamics of heat-carrying phonons. Using the powerful syntax of Python, this package provides modules and functions interfacing between different packages for atomistic simulations, lattice dynamics, and phonon-phonon interaction calculations including LAMMPS, Quippy, Phonopy, and ShengBTE. API Phonons enabled complex phonon calculations, including (1) extracting harmonic and anharmonic force constants from arbitrary interatomic potentials, which can be used as inputs for solving Boltzmann transport equations; (2) predicting thermal conductivity using Kubo’s linear response theory, which captures both quasiparticle transport and inter-band coherent transport; and (3) modeling of ultrafast pump-probe thermal responses using a Green’s function approach based on mode-resolved phonon properties for studying ballistic, hydrodynamic, and diffusive transport dynamics. The package provides a flexible, easy-to-use, and extensive platform for modeling phonon transport physics through Python programming.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"316 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142867017","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}

{"title":"Hetero-structured construction of RGO nanosheets decorated by flower-like MoS2 toward the regulation of electromagnetic wave absorption performance","authors":"Zhengzheng Guo, Ze Zong, Yanyan Cao, Yidan Zhao, Fuqiang Wang, Peien Luo, Shanhui Liu, Fang Ren, Penggang Ren","doi":"10.1016/j.mtphys.2024.101631","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101631","url":null,"abstract":"Exploring high-efficiency graphene-based electromagnetic wave (EMW) absorption materials is urgently required owing to the increasingly severe electromagnetic radiation pollution. However, the serious impedance mismatching caused by the superior conductivity of graphene and finite attenuation mechanism constrain its development. Herein, MoS₂@RGO with plentiful heterointerfaces are fabricated by a facile solvothermal strategy to realize outstanding EMW absorption. The incorporation of MoS₂ could not only effectively reduce the conductivity of RGO to alleviate the impedance mismatching issue, but also greatly enrich the loss mechanisms. In addition, the construction of flower-like MoS₂ assembled by MoS₂ could greatly prolong the transmission path of EMW through multiple reflection and scattering. The improved impedance matching and multiple dissipation mechanisms jointly endow the developed materials with brilliant EMW absorption performance. The prepared MoS₂@RGO with a 1:1 ratio of MoS₂ to RGO (MR3) at a low filler loading of 20 wt% achieves the minimum reflection loss of -69.6 dB at the frequency of 8.46 GHz under a low thickness of 2.77 mm and a broad effective absorption bandwidth of 4.36 GHz (from 11.00 to 15.36 GHz). Notably, the effectiveness of the resultant MR composites used as actual absorbers is strongly verified by the radar cross section simulation. This work opens up new possibilities for constructing hetero-structured graphene-based composites with rich heterointerfaces toward excellent electromagnetic protection.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"22 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849493","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}

{"title":"Rapid Prediction of Phonon Density of States by Crystal Attention Graph Neural Network and High-Throughput Screening of Candidate Substrates for Wide Bandgap Electronic Cooling","authors":"Mohammed Al-fahdi, Changpeng Lin, Chen Shen, Hongbin Zhang, Ming Hu","doi":"10.1016/j.mtphys.2024.101632","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101632","url":null,"abstract":"Machine learning has demonstrated superior performance in predicting vast materials properties. However, predicting a spectral-like continuous material property such as phonon density of states (DOS) is more challenging for machine learning. In this work, with phonon DOS of 4,994 inorganic structures with 62 unique elements calculated by density functional theory (DFT), we developed a crystal attention graph neural network (CATGNN) model for predicting total phonon DOS of crystalline materials. The computational cost of training the CATGNN model is several orders of magnitude cheaper than full DFT calculations. We find that high vibrational similarity or phonon DOS overlap is not the only requirement to obtain high interfacial thermal conductance (ITC) instead, the average acoustic group velocity of heat source and heat sink for the acoustic branches in the phonon DOS overlap region is equally important in determining ITC. Pearson correlation analysis yields a few simple material descriptors that are strongly but negatively correlated with ITC. These easy-to-calculate material features combined with the proposed high average acoustic group velocity and phonon DOS overlap predicted by CATGNN model offer a new reliable and fast route for high-throughput screening of novel crystalline materials with desirable high ITC for phonon-mediated thermal management of wide bandgap electronics.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"10 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857909","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}

{"title":"Insights into the Enhanced ORR Activity of FeN4-Embedded Graphene Through Interface Interactions with Metal Substrates: Electronic vs. Geometric Descriptors","authors":"Silu Li, Donghai Wu, Lulu Gao, Jiahang Li, Gang Tang, Zaiping Zeng, Dongwei Ma","doi":"10.1016/j.mtphys.2024.101633","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101633","url":null,"abstract":"Recent experiments have revealed that the oxygen reduction reaction (ORR) performances of transition-metal and nitrogen codoped carbon (TM-N-C) can be drastically improved by interfacing with TM nanoparticles. However, the key factors that derive from this emerging composite SAC and can well correlate with the boosted ORR activity is still unclear. Herein, taking the FeN₄-embedded graphene (FeN₄-G) as example, we built a series of model heterointerface systems, by placing FeN₄-G on various common TM surfaces (denoted as FeN₄-M), to explore the enhancement origin. Based on extensive density functional theory calculations, we find that all the FeN₄-M systems exhibit higher ORR activity than the free-standing FeN₄-G, and even most FeN₄-M systems are much more active than the Pt(111) surface. Furthermore, for the descriptor construction, however there is no apparent correlation between the ORR activity and the electronic structures of Fe active centers, the ones that are closely relevant with ORR activity of the free-standing FeN₄-G. Instead, interestingly the interlayer distance between FeN₄-G and the underlying metal substrates, an intrinsic geometric structure parameter, has been identified to linearly correlate with the binding strengths of ORR intermediates and ORR overpotential well. Present work provides a novel insight into the structure-activity relationship of the composite SACs consisting of Fe-N-C and metal nanoparticles.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"13 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857910","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}

{"title":"Transforming High-Resolution Imaging: A Comprehensive Review of Advances in Metasurfaces and Metalenses","authors":"Nikolay Lvovich Kazanskiy, Svetlana Nikolaevna Khonina, Muhammad Ali Butt","doi":"10.1016/j.mtphys.2024.101628","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101628","url":null,"abstract":"Meta-optics, particularly through the use of metasurfaces (MSs), have revolutionized high-resolution imaging (HRI) by enabling unprecedented control over light at the subwavelength scale. Metalenses (MLs), a key component of meta-optics, can correct chromatic aberrations and focus light with extreme precision, surpassing the limitations of traditional optics. Their compact design and ability to manipulate various wavelengths and polarizations of light allow for ultra-thin, lightweight imaging systems with enhanced resolution. These advancements are pushing the boundaries of imaging technologies in applications such as microscopy, sensing, and even consumer electronics. This review highlights recent advancements in MSs, with a focus on MLs for HRI. Additionally, the integration of deep learning techniques is explored, demonstrating enhanced imaging performance. Prospects and potential developments in ML technology are discussed, providing insights into their role in advancing next-generation imaging systems.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"1 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142820737","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}

{"title":"Giant Nernst Angle in Self-Intercalated van der Waals Magnet Cr1.25Te2","authors":"Shuvankar Gupta, Olajumoke Oluwatobiloba Emmanuel, Yasemin Ozbek, Mingyu Xu, Weiwei Xie, Pengpeng Zhang, Xianglin Ke","doi":"10.1016/j.mtphys.2024.101627","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101627","url":null,"abstract":"The discovery of two-dimensional van der Waals (vdW) magnetic materials has propelled advancements in technological devices. The Nernst effect, which generates a transverse electric voltage in the presence of a longitudinal thermal gradient, shows great promise for thermoelectric applications. In this work, we report the electronic and thermoelectric transport properties of Cr_1.25Te₂, a layered self-intercalated vdW material which exhibits an antiferromagnetic ordering at <em>T</em>_<em>N</em> ∼ 191 K followed by a ferromagnetic-like phase transition at <em>T</em>_<em>C</em> ∼171 K. We observe a prominent topological Hall effect and topological Nernst effect between <em>T</em>_<em>C</em> and <em>T</em>_<em>N</em>, which is ascribable to non-coplanar spin textures inducing a real-space Berry phase due to competing ferromagnetic and antiferromagnetic interactions. Furthermore, we show that Cr_1.25Te₂ exhibits a substantial anomalous Nernst effect, featuring a giant Nernst angle of ∼37% near <em>T</em>_<em>C</em> and a maximum Nernst thermoelectric coefficient of 0.52 μV/K. These results surpass those of conventional ferromagnets and other two-dimensional vdW materials, highlighting Cr_1.25Te₂ as a promising candidate for advanced thermoelectric devices based on the Nernst effect.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"7 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142816013","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}

{"title":"Thermal conductive radiative cooling film for local heat dissipation","authors":"Qin Ye, Xingyu Chen, Hongjie Yan, Meijie Chen","doi":"10.1016/j.mtphys.2024.101626","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101626","url":null,"abstract":"Radiative cooling has attracted lots of attention recently due to its electricity-free cooling by reflecting solar radiation and emitting thermal radiation to the cold outer space. However, how to improve heat dissipation performance at above-ambient temperatures is still a challenge for outdoor flexible devices. Here a bilayer structure was designed to achieve a thin and thermal conductive radiative cooling film for local heat dissipation in outdoor flexible devices, the local heating area can be avoided by the high in-plane thermal conductive performance and heat can be efficiently dissipated to the outer environment by daytime radiative cooling. The top layer consisted of porous hBN@PVDF-HFP film (thickness ∼ 100 μm) to realize daytime radiative cooling while the bottom layer was the directional graphene film (thickness ∼ 30 μm) to promote in-plane thermal conductive performance, high solar reflectance <span><span style=\"\"></span><span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"><svg focusable=\"false\" height=\"0.24ex\" role=\"img\" style=\"vertical-align: -0.12ex;\" viewbox=\"0 -51.7 0 103.4\" width=\"0\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"></g></svg></span><script type=\"math/mml\"><math></math></script></span> = 0.944, thermal emittance <span><span style=\"\"></span><span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"><svg focusable=\"false\" height=\"0.24ex\" role=\"img\" style=\"vertical-align: -0.12ex;\" viewbox=\"0 -51.7 0 103.4\" width=\"0\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"></g></svg></span><script type=\"math/mml\"><math></math></script></span> = 0.904, and in-plane thermal diffusivity 185.7 mm² s^-1 were obtained. Under sunlight, the designed radiative cooling film can greatly reduce the local working temperature from 130.6 ^oC to 63.3 ^oC compared with the reference radiative cooling film at the same local heating power, which also shows great local heat dissipation performance under a non-flat surface. This work provides a potential approach to developing thermal conductive radiative cooling technologies for outdoor local heat dissipation applications.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"119 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142816014","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}

{"title":"Computational investigation of NaKFePO4F fluorophosphate as a high-performance cathode material for Na/K-ion batteries","authors":"Abdelghani Bensassi, Zineb El Kacemi, Zouhir Mansouri, Abdelfattah Mahmoud, Mohamed Balli, Abdallah El Kenz, Abdelilah Benyoussef, Omar Mounkachi","doi":"10.1016/j.mtphys.2024.101623","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101623","url":null,"abstract":"Recently, NaKFePO₄F, a layered iron-based fluorophosphate, has been proposed as a promising cathode material for both sodium-ion (SIBs) and potassium-ion batteries (KIBs), with an ion-exchange strategy significantly enhancing its capacity and addressing its low electronic conductivity. However, the atomic-scale mechanisms driving these improvements have yet to be fully explained. For this reason, density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations were systematically employed to assess the electrochemical feasibility of NaKFePO₄F as a novel cathode material for these batteries. Analysis of energetically stable configurations reveals that a 50% exchange of Na with K stabilizes and activates the previously inert sites in the pristine Na₂FePO₄F material. Notably, NaKFePO₄F exhibits enhanced thermodynamic stability and electronic conductivity, with a reduced band gap of 2.40 eV compared to 3.18 eV in the pristine material. Moreover, NaKFePO₄F was found to exhibit a low activation energy barrier of 0.42 eV for K ions, as determined by climbing image nudged elastic band (CI-NEB) computations. AIMD predictions also indicate that this material can sustain elevated temperatures from 300 K to 800 K, with ion diffusivity described accordingly. Ultimately, NaKFePO₄F achieved an average discharge voltage of 3.67 V and an energy density of 426 Wh/kg for KIBs, surpassing the 3.49 V discharge voltage and 405 Wh/kg energy density of SIBs. Given these predicted results, NaKFePO₄F is expected to be a promising cathode material for post-lithium-ion battery technology.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"41 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142804676","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}

{"title":"Plasmonic Photothermal Superhydrophobic Surface with Nanotubes Thermal Insulating Blanket for Anti-icing and Anti-frosting under Weak Light Illumination","authors":"Huamei Zhong, Chengjie Xiang, Zhifeng Hu, Xinge Yang, Haoran Liu, Ruzhu Wang, H. Zhong, C. Xiang, Z. Hu, X. Yang, H. Liu, R. Wang","doi":"10.1016/j.mtphys.2024.101625","DOIUrl":"https://doi.org/10.1016/j.mtphys.2024.101625","url":null,"abstract":"Accumulation of ice and frost poses a substantial threat to the safe and efficient operation of transportation and energy infrastructures, such as aircraft, vessels, and wind turbines. While photothermal superhydrophobic surfaces have emerged as a promising solution for anti- and de-icing, the high thermal conductivity of metal substrates leads to large heat losses that limits the thermal efficiency of photothermal surfaces. In addition, the hard and brittle micro-nanostructure is an important obstacle limiting the practical application of superhydrophobic surfaces. Herein, the flexible poly(vinylidene fluoride) (PVDF) is employed to stabilize the rigid plasmonic titanium nitride (TiN) particles, and then a micro-hexagonal network structure containing fibers and knots is constructed on the surface of insulated titania nanotube layer by electrospinning. This photothermal superhydrophobic layer achieves a remarkable temperature increase of 75.3 °C under 1 Sun illumination, driven by high solar absorption, plasmon resonance, and enhanced thermal insulation. The surface exhibits excellent superhydrophobicity, enabling superior anti-icing and anti-frosting performance, even under reduced illumination (0.35 Sun). At -23 °C, the surface remains frost-free for up to 9 hours and can melt ice within 300 seconds. This design offers significant potential for applications in transportation, energy systems, and other critical infrastructures.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"144 1","pages":""},"PeriodicalIF":11.5,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142804624","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}