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Multiscale characterization of laser-induced defects in the production of heterojunction photovoltaic cells
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-11 DOI: 10.1016/j.mtphys.2025.101699
Anacleto Proietti , Luca Buccini , Pierfrancesco Atanasio , Chiara Mancini , Giancarlo La Penna , Corrado Di Conzo , Francesco Mura , Wajahat Khan , Marco Galiazzo , Nicola Frasson , Alessandra Querci , Daniele Passeri , Marco Rossi
Heterojunction (HJT) photovoltaic cells represent a significant advancement in solar technology due to their ability to combine high efficiency with durability. However, the integration of shingling technology, a process which employs precise laser cutting to maximize panel performance, introduces substantial challenges. The utilization of nanosecond infrared (ns-IR) lasers for segmentation often results in structural and morphological damage, particularly along the cut edges, thereby impacting the optical, mechanical, and electrical properties of the cells.
This study employs advanced multi-scale characterisation techniques, including scanning electron microscopy (SEM), Raman spectroscopy, photoluminescence (PL) analysis, and atomic force microscopy (AFM), to investigate these laser-induced defects. The results reveal extensive disruptions to the surface morphology, including the formation of silicon oxide residues and deformation of pyramidal structures essential for light trapping. Raman and PL analyses highlight strain and disorder within the silicon lattice, particularly near the cut edges, where defects reduce crystalline quality and increase recombination losses. Additionally, Kelvin Probe Force Microscopy (KPFM) measurements indicate a significant decline in surface potential and work function, extending up to millimeters from the cut region, further compromising cell efficiency. These findings emphasize the critical need to optimize laser cutting processes for HJT cells, particularly in shingling applications. Achieving this objective necessitates minimizing defects and preserving the integrity of silicon and indium tin oxide layers, thereby facilitating the fabrication of high-performing solar cells that can be scaled up for application in more efficient and reliable photovoltaic solutions.
{"title":"Multiscale characterization of laser-induced defects in the production of heterojunction photovoltaic cells","authors":"Anacleto Proietti ,&nbsp;Luca Buccini ,&nbsp;Pierfrancesco Atanasio ,&nbsp;Chiara Mancini ,&nbsp;Giancarlo La Penna ,&nbsp;Corrado Di Conzo ,&nbsp;Francesco Mura ,&nbsp;Wajahat Khan ,&nbsp;Marco Galiazzo ,&nbsp;Nicola Frasson ,&nbsp;Alessandra Querci ,&nbsp;Daniele Passeri ,&nbsp;Marco Rossi","doi":"10.1016/j.mtphys.2025.101699","DOIUrl":"10.1016/j.mtphys.2025.101699","url":null,"abstract":"<div><div>Heterojunction (HJT) photovoltaic cells represent a significant advancement in solar technology due to their ability to combine high efficiency with durability. However, the integration of shingling technology, a process which employs precise laser cutting to maximize panel performance, introduces substantial challenges. The utilization of nanosecond infrared (ns-IR) lasers for segmentation often results in structural and morphological damage, particularly along the cut edges, thereby impacting the optical, mechanical, and electrical properties of the cells.</div><div>This study employs advanced multi-scale characterisation techniques, including scanning electron microscopy (SEM), Raman spectroscopy, photoluminescence (PL) analysis, and atomic force microscopy (AFM), to investigate these laser-induced defects. The results reveal extensive disruptions to the surface morphology, including the formation of silicon oxide residues and deformation of pyramidal structures essential for light trapping. Raman and PL analyses highlight strain and disorder within the silicon lattice, particularly near the cut edges, where defects reduce crystalline quality and increase recombination losses. Additionally, Kelvin Probe Force Microscopy (KPFM) measurements indicate a significant decline in surface potential and work function, extending up to millimeters from the cut region, further compromising cell efficiency. These findings emphasize the critical need to optimize laser cutting processes for HJT cells, particularly in shingling applications. Achieving this objective necessitates minimizing defects and preserving the integrity of silicon and indium tin oxide layers, thereby facilitating the fabrication of high-performing solar cells that can be scaled up for application in more efficient and reliable photovoltaic solutions.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"53 ","pages":"Article 101699"},"PeriodicalIF":10.0,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143590112","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
Accelerating high-throughput phonon calculations via machine learning universal potentials
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.mtphys.2025.101688
Huiju Lee , Vinay I. Hegde , Chris Wolverton , Yi Xia
Phonons play a critical role in determining various material properties, but conventional methods for phonon calculations are computationally intensive, limiting their broad applicability. In this study, we present an approach to accelerate high-throughput harmonic phonon calculations using machine learning universal potentials (MLIPs) combined with an efficient training dataset generation strategy. Instead of computing phonon properties from a large number of supercells with small atomic displacements of a single atom, our approach uses a smaller subset of supercell structures where all atoms are randomly displaced by 0.01 to 0.05 UŮ, significantly reducing computational costs. We train a state-of-the-art MLIP based on multi-atomic cluster expansion (MACE), on a comprehensive dataset of 2738 materials with 77 elements, totaling 15,670 supercell structures, computed using high-fidelity density functional theory (DFT) calculations. The trained model is validated against phonon calculations for a held-out subset of 384 materials, achieving a mean absolute error (MAE) of 0.18 THz for vibrational frequencies from full phonon dispersions, 2.19 meV/atom for Helmholtz vibrational free energies at 300K, as well as a classification accuracy of 86.2% for dynamical stability of materials. A thermodynamic analysis of polymorphic stability in 126 systems demonstrates good agreement with DFT results at 300 K and 1000 K. In addition, the diverse and extensive high-quality DFT dataset curated in this study serves as a valuable resource for researchers to train and improve other machine learning interatomic potential models.
{"title":"Accelerating high-throughput phonon calculations via machine learning universal potentials","authors":"Huiju Lee ,&nbsp;Vinay I. Hegde ,&nbsp;Chris Wolverton ,&nbsp;Yi Xia","doi":"10.1016/j.mtphys.2025.101688","DOIUrl":"10.1016/j.mtphys.2025.101688","url":null,"abstract":"<div><div>Phonons play a critical role in determining various material properties, but conventional methods for phonon calculations are computationally intensive, limiting their broad applicability. In this study, we present an approach to accelerate high-throughput harmonic phonon calculations using machine learning universal potentials (MLIPs) combined with an efficient training dataset generation strategy. Instead of computing phonon properties from a large number of supercells with small atomic displacements of a single atom, our approach uses a smaller subset of supercell structures where all atoms are randomly displaced by 0.01 to 0.05 UŮ, significantly reducing computational costs. We train a state-of-the-art MLIP based on multi-atomic cluster expansion (MACE), on a comprehensive dataset of 2738 materials with 77 elements, totaling 15,670 supercell structures, computed using high-fidelity density functional theory (DFT) calculations. The trained model is validated against phonon calculations for a held-out subset of 384 materials, achieving a mean absolute error (MAE) of 0.18 THz for vibrational frequencies from full phonon dispersions, 2.19 meV/atom for Helmholtz vibrational free energies at 300K, as well as a classification accuracy of 86.2% for dynamical stability of materials. A thermodynamic analysis of polymorphic stability in 126 systems demonstrates good agreement with DFT results at 300 K and 1000 K. In addition, the diverse and extensive high-quality DFT dataset curated in this study serves as a valuable resource for researchers to train and improve other machine learning interatomic potential models.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"53 ","pages":"Article 101688"},"PeriodicalIF":10.0,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569667","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
Low-symmetry polymorph of GaP upends bonding paradigms of metallic high-pressure III–V compounds
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.mtphys.2025.101686
Barbara Lavina , Enrique Zanardi , Andrés Mujica , Hyunchae Cynn , Yue Meng , Vitali Prakapenka , Jesse S. Smith
The pressure-induced polymorphism of binary octet compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through x-ray microdiffraction and first-principles calculations, that its high-pressure metallic phase (previously reported as being disordered) adopts in fact an ordered base-centered monoclinic structure previously unknown in this class of compounds. The formation of layered patterns with variable degrees of interlayer dimerization, as observed in GaP, marks a paradigm shift of our understanding of ordering in octet high-pressure phases which calls for a more extensive re-examination. A rich polymorphism with fine tuning of chemical and physical properties can be envisioned.
{"title":"Low-symmetry polymorph of GaP upends bonding paradigms of metallic high-pressure III–V compounds","authors":"Barbara Lavina ,&nbsp;Enrique Zanardi ,&nbsp;Andrés Mujica ,&nbsp;Hyunchae Cynn ,&nbsp;Yue Meng ,&nbsp;Vitali Prakapenka ,&nbsp;Jesse S. Smith","doi":"10.1016/j.mtphys.2025.101686","DOIUrl":"10.1016/j.mtphys.2025.101686","url":null,"abstract":"<div><div>The pressure-induced polymorphism of binary octet compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through x-ray microdiffraction and first-principles calculations, that its high-pressure metallic phase (previously reported as being disordered) adopts in fact an ordered base-centered monoclinic structure previously unknown in this class of compounds. The formation of layered patterns with variable degrees of interlayer dimerization, as observed in GaP, marks a paradigm shift of our understanding of ordering in octet high-pressure phases which calls for a more extensive re-examination. A rich polymorphism with fine tuning of chemical and physical properties can be envisioned.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"53 ","pages":"Article 101686"},"PeriodicalIF":10.0,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569660","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
Hierarchically porous coatings as durable radiative coolers with easy-cleaning property
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-06 DOI: 10.1016/j.mtphys.2025.101694
A-Jun Chang , Chao-Hua Xue , Jiao-Jiao Sun , Meng-Xia Shen , Xiao-Jing Guo , Bing-Ying Liu , Meng-Chen Huang , Jing Li , Hong-Wei Wang
Radiative cooling, as a sustainable and environmentally friendly cooling technology, holds promise for effectively addressing global energy challenges. However, the primary challenge to radiative cooling materials lies in achieving a balance between cooling capacity and application performances, including mechanical strength, durability, and nighttime insulation. In this study, we have successfully developed a hierarchically porous radiative cooling coating using the composite of thermoplastic polyurethane and hydrophobic silica through a scalable phase separation method. This cooling coating can be applied to various common materials in daily life such as polyester, glass, aluminum plates, wood, and paper products. When applied to polyester fabrics, the fabricated hierarchically porous radiative cooling coating (PRCC) demonstrates high solar reflectivity of 92 %, strong infrared emissivity of 95 % with low thermal conductivity of 0.015 W m−1 K−1, and favorable mechanical properties with a strength of 21.8 MPa, easy-cleaning features, exceptional durability to UV aging and high-temperature exposure. Outdoor testing results showed that the PRCC achieved an average diurnal cooling of 13.4 °C while exhibiting an average nocturnal warming of 1.5 °C. Furthermore, the PRCC maintains outstanding cooling performance even after twelve months of outdoor exposure. This work is expected to promote the long-term application of radiative cooling materials in outdoor settings.
{"title":"Hierarchically porous coatings as durable radiative coolers with easy-cleaning property","authors":"A-Jun Chang ,&nbsp;Chao-Hua Xue ,&nbsp;Jiao-Jiao Sun ,&nbsp;Meng-Xia Shen ,&nbsp;Xiao-Jing Guo ,&nbsp;Bing-Ying Liu ,&nbsp;Meng-Chen Huang ,&nbsp;Jing Li ,&nbsp;Hong-Wei Wang","doi":"10.1016/j.mtphys.2025.101694","DOIUrl":"10.1016/j.mtphys.2025.101694","url":null,"abstract":"<div><div>Radiative cooling, as a sustainable and environmentally friendly cooling technology, holds promise for effectively addressing global energy challenges. However, the primary challenge to radiative cooling materials lies in achieving a balance between cooling capacity and application performances, including mechanical strength, durability, and nighttime insulation. In this study, we have successfully developed a hierarchically porous radiative cooling coating using the composite of thermoplastic polyurethane and hydrophobic silica through a scalable phase separation method. This cooling coating can be applied to various common materials in daily life such as polyester, glass, aluminum plates, wood, and paper products. When applied to polyester fabrics, the fabricated hierarchically porous radiative cooling coating (PRCC) demonstrates high solar reflectivity of 92 %, strong infrared emissivity of 95 % with low thermal conductivity of 0.015 W m<sup>−1</sup> K<sup>−1</sup>, and favorable mechanical properties with a strength of 21.8 MPa, easy-cleaning features, exceptional durability to UV aging and high-temperature exposure. Outdoor testing results showed that the PRCC achieved an average diurnal cooling of 13.4 °C while exhibiting an average nocturnal warming of 1.5 °C. Furthermore, the PRCC maintains outstanding cooling performance even after twelve months of outdoor exposure. This work is expected to promote the long-term application of radiative cooling materials in outdoor settings.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"53 ","pages":"Article 101694"},"PeriodicalIF":10.0,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560852","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
Ultralow frequency interlayer mode from suppressed van der Waals coupling in polar Janus SMoSe/SWSe heterostructure
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-05 DOI: 10.1016/j.mtphys.2025.101689
Kai Ren , Ke Wang , Yi Luo , Minglei Sun , Tariq Altalhi , Boris I. Yakobson , Gang Zhang
The broken mirror symmetry in Janus SMoSe and SWSe monolayers induces novel properties for photocatalytic, thermoelectric and photocatalytic devices. Interlayer coupling is critical in van der Waals (vdW) heterostructure for quantum transport and polaritonics. We investigate Janus SMoSe/SWSe vdW heterostructures with three stacking interfaces: S-S, S-Se, and Se-Se. The S-Se SMoSe/SWSe vdW heterostructure with lowest symmetry exhibits ultralow frequencies of in-plane shear (1.94 cm−1) and out-of-plane breathing (4.47 cm−1) modes due to weaker interlayer vdW restoring forces and a significant intrinsic vertical dipole moment. The reduced restoring forces are caused by the critical charge transfer across the vdW interface. Thus, the larger interlayer spacing in the S-Se SMoSe/SWSe heterostructure results in the suppressed vdW interlayer coupling for ultralow phonon frequencies. These findings advance understanding of tuning vdW coupling in polar Janus SMoSe/SWSe heterostructures by stacking engineering, providing theoretical insights for designing tunable nanoelectronic devices.
{"title":"Ultralow frequency interlayer mode from suppressed van der Waals coupling in polar Janus SMoSe/SWSe heterostructure","authors":"Kai Ren ,&nbsp;Ke Wang ,&nbsp;Yi Luo ,&nbsp;Minglei Sun ,&nbsp;Tariq Altalhi ,&nbsp;Boris I. Yakobson ,&nbsp;Gang Zhang","doi":"10.1016/j.mtphys.2025.101689","DOIUrl":"10.1016/j.mtphys.2025.101689","url":null,"abstract":"<div><div>The broken mirror symmetry in Janus SMoSe and SWSe monolayers induces novel properties for photocatalytic, thermoelectric and photocatalytic devices. Interlayer coupling is critical in van der Waals (vdW) heterostructure for quantum transport and polaritonics. We investigate Janus SMoSe/SWSe vdW heterostructures with three stacking interfaces: S-S, S-Se, and Se-Se. The S-Se SMoSe/SWSe vdW heterostructure with lowest symmetry exhibits ultralow frequencies of in-plane shear (1.94 cm<sup>−1</sup>) and out-of-plane breathing (4.47 cm<sup>−1</sup>) modes due to weaker interlayer vdW restoring forces and a significant intrinsic vertical dipole moment. The reduced restoring forces are caused by the critical charge transfer across the vdW interface. Thus, the larger interlayer spacing in the S-Se SMoSe/SWSe heterostructure results in the suppressed vdW interlayer coupling for ultralow phonon frequencies. These findings advance understanding of tuning vdW coupling in polar Janus SMoSe/SWSe heterostructures by stacking engineering, providing theoretical insights for designing tunable nanoelectronic devices.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"53 ","pages":"Article 101689"},"PeriodicalIF":10.0,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546438","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
(AgSbTe2)1-x(Bi2Te3)x-based thermoelectric device for low-grade heat recovery
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-01 DOI: 10.1016/j.mtphys.2025.101692
Di Zhang, Min Liu, Tao Jin, Long Yang, Wen Li, Yanzhong Pei
Near room-temperature thermoelectric materials have promising applications for recovering low-grade waste heat, but high-performance p-type thermoelectric candidates are quite limited if compared with n-type ones. It is thus important to design new p-type materials with superior thermoelectric performance. AgSbTe2 has received plenty of attention as a promising p-type material candidate due to its intrinsically low thermal conductivity, which is further decreased by introducing vacancies and substitutional point defects by alloying with Bi2Te3 in this work. With the additional help of Cd substitution at the Sb site, the optimized carrier concentration leads to a peak zT value of 0.93 at 450 K for (AgSb0.98Cd0.02Te2)0.9(Bi2Te3)0.1, and the corresponding single-leg device achieves a conversion efficiency of 4.2 % at a temperature gradient ΔT of ∼162 K. By further pairing with an n-type Ag2Se leg, a conversion efficiency of ∼1.8 % is realized at a ΔT of ∼93 K for the obtained module, suggesting its potential applications in the low-grade heat recovery.
{"title":"(AgSbTe2)1-x(Bi2Te3)x-based thermoelectric device for low-grade heat recovery","authors":"Di Zhang,&nbsp;Min Liu,&nbsp;Tao Jin,&nbsp;Long Yang,&nbsp;Wen Li,&nbsp;Yanzhong Pei","doi":"10.1016/j.mtphys.2025.101692","DOIUrl":"10.1016/j.mtphys.2025.101692","url":null,"abstract":"<div><div>Near room-temperature thermoelectric materials have promising applications for recovering low-grade waste heat, but high-performance <em>p</em>-type thermoelectric candidates are quite limited if compared with <em>n</em>-type ones. It is thus important to design new <em>p</em>-type materials with superior thermoelectric performance. AgSbTe<sub>2</sub> has received plenty of attention as a promising <em>p</em>-type material candidate due to its intrinsically low thermal conductivity, which is further decreased by introducing vacancies and substitutional point defects by alloying with Bi<sub>2</sub>Te<sub>3</sub> in this work. With the additional help of Cd substitution at the Sb site, the optimized carrier concentration leads to a peak <em>zT</em> value of 0.93 at 450 K for (AgSb<sub>0.98</sub>Cd<sub>0.02</sub>Te<sub>2</sub>)<sub>0.9</sub>(Bi<sub>2</sub>Te<sub>3</sub>)<sub>0.1</sub>, and the corresponding single-leg device achieves a conversion efficiency of <em>∼</em>4.2 % at a temperature gradient Δ<em>T</em> of ∼162 K. By further pairing with an <em>n</em>-type Ag<sub>2</sub>Se leg, a conversion efficiency of ∼1.8 % is realized at a Δ<em>T</em> of ∼93 K for the obtained module, suggesting its potential applications in the low-grade heat recovery.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"52 ","pages":"Article 101692"},"PeriodicalIF":10.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560854","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
Balancing structural stability and thermoelectric performance of GeMnTe2 by manipulating the complexity of cation sublattice
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-01 DOI: 10.1016/j.mtphys.2025.101693
Yunpu Zhang , Yang Li , Wenyi Mao , Xinyue Zhang , Jiye Zhang , Jun Luo
GeTe, known for its superior thermoelectric performance, undergoes a structural transition from low temperature rhombohedral to high temperature cubic phase at around 700 K. This phase transition is the primary obstacle to its practical applications. Alloying Mn at the Ge site can inhibit the phase transition and stabilize the cubic structure down to room temperature, while simultaneously degrading thermoelectric properties. In this work, room-temperature cubic GeMnTe2, is chosen as the matrix, and then the complexity of cation sublattice is manipulated to achieve the best balance between structural stability and thermoelectric performance. Alloying equal amount of Ag and Sb atoms at the Ge site induces lattice softening, local chemical fluctuation, and lattice anharmonicity, leading to a lower sound velocity and significantly reducing the lattice thermal conductivity. Further doping of Sb synergistically modulates the thermoelectric performance by optimizing the electrical properties and reducing the electronic thermal conductivity. Consequently, a dimensionless thermoelectric figure of merit zT of 1.35 at 773 K and an average zT of 0.8 across the temperature range of 300–773 K are achieved for the Ge0.575Ag0.25Sb0.375Mn0.8Te2, demonstrating its promising potential as a high-performance thermoelectric material.
{"title":"Balancing structural stability and thermoelectric performance of GeMnTe2 by manipulating the complexity of cation sublattice","authors":"Yunpu Zhang ,&nbsp;Yang Li ,&nbsp;Wenyi Mao ,&nbsp;Xinyue Zhang ,&nbsp;Jiye Zhang ,&nbsp;Jun Luo","doi":"10.1016/j.mtphys.2025.101693","DOIUrl":"10.1016/j.mtphys.2025.101693","url":null,"abstract":"<div><div>GeTe, known for its superior thermoelectric performance, undergoes a structural transition from low temperature rhombohedral to high temperature cubic phase at around 700 K. This phase transition is the primary obstacle to its practical applications. Alloying Mn at the Ge site can inhibit the phase transition and stabilize the cubic structure down to room temperature, while simultaneously degrading thermoelectric properties. In this work, room-temperature cubic GeMnTe<sub>2</sub>, is chosen as the matrix, and then the complexity of cation sublattice is manipulated to achieve the best balance between structural stability and thermoelectric performance. Alloying equal amount of Ag and Sb atoms at the Ge site induces lattice softening, local chemical fluctuation, and lattice anharmonicity, leading to a lower sound velocity and significantly reducing the lattice thermal conductivity. Further doping of Sb synergistically modulates the thermoelectric performance by optimizing the electrical properties and reducing the electronic thermal conductivity. Consequently, a dimensionless thermoelectric figure of merit <em>zT</em> of 1.35 at 773 K and an average <em>zT</em> of 0.8 across the temperature range of 300–773 K are achieved for the Ge<sub>0.575</sub>Ag<sub>0.25</sub>Sb<sub>0.375</sub>Mn<sub>0.8</sub>Te<sub>2</sub>, demonstrating its promising potential as a high-performance thermoelectric material.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"52 ","pages":"Article 101693"},"PeriodicalIF":10.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560853","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
Enhancing atmospheric water harvesting on hydrophilic-superhydrophobic hybrid surfaces through wettability gradient and synergistic diversion channel
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-01 DOI: 10.1016/j.mtphys.2025.101691
Z.J. Cheng , J.P. Qu , Y.J. Liu , W.J. Wu , P.C. He , S. Li , J. Zhao , J.L. Mo
Climate change and resource depletion have exacerbated freshwater shortages, underscoring the urgent need for sustainable water resources. Atmospheric water harvesting technology, inspired by natural structures-especially fog collection on hydrophilic-superhydrophobic hybrid surfaces-offers a feasible solution due to its simple fabrication process, high collection efficiency, and zero energy consumption. While hydrophilic-superhydrophobic hybrid surfaces show potential for improving water collection efficiency, research on the mechanisms of droplet nucleation, growth, detachment, and transport remains limited. In this study, a hydrophilic porous hybrid surface with tunable wettability was fabricated by adjusting laser processing parameters, achieving a maximum collection efficiency of 1874.7 mg/cm2/h at a contact angle of 6°. The surface energy difference caused by the wettability gradient on this superhydrophilic-superhydrophobic hybrid surface accelerated droplet detachment and transport. Additionally, the introduction of single-row and multi-row diversion channels disrupted the droplet's force equilibrium and enhanced its directional sliding, further increasing the collection efficiency to 3623.1 mg/cm2/h and 4016.9 mg/cm2/h, respectively. Simulation results indicate that the combined effects of wettability-driven forces and Laplace pressure significantly improve the efficiency of droplet nucleation, growth, detachment, and sliding. The tunable wettability hybrid surface developed in this study is highly versatile and can be applied to a wide range of substrates, showcasing substantial potential for atmospheric water harvesting offering a sustainable water resource solution for arid regions.
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引用次数: 0
Ultrahigh responsivity solar-blind high electron mobility photodetector utilizing a β-Ga2O3/GaN heterojunction
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-01 DOI: 10.1016/j.mtphys.2025.101683
Zeming Li , Rensheng Shen , Yuantao Zhang , Guoqiang Zhong , Yuchun Chang , Hongwei Liang , Gaoqiang Deng , Xiaochuan Xia , Wancheng Li , Baolin Zhang
β gallium oxide (β-Ga2O3) is considered as a primary choice for solar-blind ultraviolet (SBUV) detection because of its advantages such as intrinsic solar-blindness and robust stability. Nevertheless, the inherent low electron mobility of β-Ga2O3 poses a significant challenge to its application. Here, β-Ga2O3 films were integrated with gallium nitride (GaN) substrates through metal-organic chemical vapor deposition (MOCVD). Based on the obtained heterojunctions, a solar-blind high electron mobility photodetector (HEMPD) was developed. With the help of the minimal conduction band offset (0.12 eV), the photo-generated carriers are able to almost unhindered move between β-Ga2O3 and GaN, and drift in GaN under an external field. Leveraging the high electron mobility advantage of GaN, the HEMPD achieves a responsivity (R) of 2.96 × 104 A/W and an external quantum efficiency (EQE) of 1.44 × 107 %, even surpassing some β-Ga2O3-based avalanche photodetectors (APDs). Furthermore, the indirect contact between GaN and electrodes significantly improves the SBUV/UV-A rejection ratio of our HEMPD compared to other vertical PDs based on β-Ga2O3/GaN heterojunctions. This study provides crucial insights for overcoming the low electron mobility limit of β-Ga2O3-based PDs.
{"title":"Ultrahigh responsivity solar-blind high electron mobility photodetector utilizing a β-Ga2O3/GaN heterojunction","authors":"Zeming Li ,&nbsp;Rensheng Shen ,&nbsp;Yuantao Zhang ,&nbsp;Guoqiang Zhong ,&nbsp;Yuchun Chang ,&nbsp;Hongwei Liang ,&nbsp;Gaoqiang Deng ,&nbsp;Xiaochuan Xia ,&nbsp;Wancheng Li ,&nbsp;Baolin Zhang","doi":"10.1016/j.mtphys.2025.101683","DOIUrl":"10.1016/j.mtphys.2025.101683","url":null,"abstract":"<div><div>β gallium oxide (β-Ga<sub>2</sub>O<sub>3</sub>) is considered as a primary choice for solar-blind ultraviolet (SBUV) detection because of its advantages such as intrinsic solar-blindness and robust stability. Nevertheless, the inherent low electron mobility of β-Ga<sub>2</sub>O<sub>3</sub> poses a significant challenge to its application. Here, β-Ga<sub>2</sub>O<sub>3</sub> films were integrated with gallium nitride (GaN) substrates through metal-organic chemical vapor deposition (MOCVD). Based on the obtained heterojunctions, a solar-blind high electron mobility photodetector (HEMPD) was developed. With the help of the minimal conduction band offset (0.12 eV), the photo-generated carriers are able to almost unhindered move between β-Ga<sub>2</sub>O<sub>3</sub> and GaN, and drift in GaN under an external field. Leveraging the high electron mobility advantage of GaN, the HEMPD achieves a responsivity (R) of 2.96 × 10<sup>4</sup> A/W and an external quantum efficiency (EQE) of 1.44 × 10<sup>7</sup> %, even surpassing some β-Ga<sub>2</sub>O<sub>3</sub>-based avalanche photodetectors (APDs). Furthermore, the indirect contact between GaN and electrodes significantly improves the SBUV/UV-A rejection ratio of our HEMPD compared to other vertical PDs based on β-Ga<sub>2</sub>O<sub>3</sub>/GaN heterojunctions. This study provides crucial insights for overcoming the low electron mobility limit of β-Ga<sub>2</sub>O<sub>3</sub>-based PDs.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"52 ","pages":"Article 101683"},"PeriodicalIF":10.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143477571","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
Neural network–enabled accelerated discovery of multifunctional metamaterials for adaptive multispectral stealth applications
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-01 DOI: 10.1016/j.mtphys.2025.101696
Wei Chen , Yuping Duan , Da Ma , Meng Wang , Shude Gu , Jiangyong Liu , Yupeng Shi , Yang Yang
The development of advanced multispectral compatible stealth materials (CSMs) based on metamaterials faces significant challenges, including computational inefficiency, prohibitive costs, and the persistent issue of local optima in conventional design approaches. This study presents a transformative inverse design framework that revolutionizes the field by enabling rapid optimization within a quasi-infinite solution space. Departing from traditional low-dimensional design paradigms that are constrained by limited solution spaces and excessive reliance on manual intervention, our innovative approach introduces three key advancements: (1) a randomized cut-line coding methodology that generates an expansive, high-dimensional design space capable of addressing diverse stealth requirements; (2) a novel hybrid intelligence system combining genetic algorithms with neural networks for unprecedented computational efficiency and design flexibility; and (3) a multilayer architecture integrating conductive surface materials that achieves remarkable multispectral performance. The resulting CSMs, with a mere 1.24 mm thickness and 2.22 kg/m2 surface density, demonstrate exceptional capabilities, including ultrabroadband antireflection (reflectivity <0.1 across 8.9–18 GHz), dynamic multiband performance modulation (tunable within 6–18 GHz), radar cross-section reduction, and beam deflection - all programmable through customized fitness functions. Furthermore, the materials exhibit superior infrared stealth characteristics, achieving emissivity values as low as 0.3. This work establishes a new paradigm for the development of adaptive multispectral stealth materials, offering unprecedented versatility in diverse detection environments.
{"title":"Neural network–enabled accelerated discovery of multifunctional metamaterials for adaptive multispectral stealth applications","authors":"Wei Chen ,&nbsp;Yuping Duan ,&nbsp;Da Ma ,&nbsp;Meng Wang ,&nbsp;Shude Gu ,&nbsp;Jiangyong Liu ,&nbsp;Yupeng Shi ,&nbsp;Yang Yang","doi":"10.1016/j.mtphys.2025.101696","DOIUrl":"10.1016/j.mtphys.2025.101696","url":null,"abstract":"<div><div>The development of advanced multispectral compatible stealth materials (CSMs) based on metamaterials faces significant challenges, including computational inefficiency, prohibitive costs, and the persistent issue of local optima in conventional design approaches. This study presents a transformative inverse design framework that revolutionizes the field by enabling rapid optimization within a quasi-infinite solution space. Departing from traditional low-dimensional design paradigms that are constrained by limited solution spaces and excessive reliance on manual intervention, our innovative approach introduces three key advancements: (1) a randomized cut-line coding methodology that generates an expansive, high-dimensional design space capable of addressing diverse stealth requirements; (2) a novel hybrid intelligence system combining genetic algorithms with neural networks for unprecedented computational efficiency and design flexibility; and (3) a multilayer architecture integrating conductive surface materials that achieves remarkable multispectral performance. The resulting CSMs, with a mere 1.24 mm thickness and 2.22 kg/m<sup>2</sup> surface density, demonstrate exceptional capabilities, including ultrabroadband antireflection (reflectivity &lt;0.1 across 8.9–18 GHz), dynamic multiband performance modulation (tunable within 6–18 GHz), radar cross-section reduction, and beam deflection - all programmable through customized fitness functions. Furthermore, the materials exhibit superior infrared stealth characteristics, achieving emissivity values as low as 0.3. This work establishes a new paradigm for the development of adaptive multispectral stealth materials, offering unprecedented versatility in diverse detection environments.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"52 ","pages":"Article 101696"},"PeriodicalIF":10.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143561280","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
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Materials Today Physics
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