Journal of Physics: Condensed Matter最新文献

{"title":"Silica-binding peptides: physical chemistry and emerging biomaterials applications.","authors":"Wilson A Tárraga, Marilina Cathcarth, Agustin S Picco, Gabriel S Longo","doi":"10.1088/1361-648X/adc6e2","DOIUrl":"10.1088/1361-648X/adc6e2","url":null,"abstract":"<p><p>Silica-binding peptides (SBPs) are increasingly recognized as versatile tools for various applications spanning biosensing, biocatalysis, and environmental remediation. This review explores the interaction between these peptides and silica surfaces, offering insights into how variables such as surface silanol density, peptide sequence and composition, and solution conditions influence binding affinity. Key advancements in SBP applications are discussed, including their roles in protein purification, biocatalysis, biosensing, and biomedical engineering. By examining the underlying binding mechanisms and exploring their practical potential, this work provides a comprehensive understanding of how SBPs can drive innovations in materials science and biotechnology.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143743021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrical resistivity of ErB₂under pressure.","authors":"A Tong, D Nuzhina, C Resch, G Benka, A Bauer, C Pfleiderer","doi":"10.1088/1361-648X/adc77a","DOIUrl":"10.1088/1361-648X/adc77a","url":null,"abstract":"<p><p>DiboridesAB2crystallizing in the hexagonal C32 structure exhibit a wide range of magnetic and electronic properties depending on the choice of the element<i>A</i>and the precise values of the lattice constants<i>a</i>and<i>c</i>. ErB₂represents a typical rare-earth diboride, exhibiting easy-plane ferromagnetic order below 14 K. We report a study of the evolution of the electrical transport properties of ErB₂when tuning the lattice constants under pressures up to 5.6 GPa. Using Bridgman-type pressure cells with polycrystalline diamond anvils and steatite as the solid pressure medium, quasi-hydrostatic conditions are provided. We find that magnetic order is stabilized under pressure and discuss the influence of uniaxial components by comparing measurements on polycrystalline and single-crystalline samples.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143753225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the interactions of ZDDP additive with hematite surfaces: a DFT+<i>U</i>study.","authors":"Davide Sarpa, David D O'Regan, Vasilios Bakolas, Joanna Procelewska, Joerg Franke, Philipp Roedel, Marcus Wolf, Chris-Kriton Skylaris","doi":"10.1088/1361-648X/adc5c2","DOIUrl":"10.1088/1361-648X/adc5c2","url":null,"abstract":"<p><p>The class of zinc dialkyldithiophosphates (ZDDPs) has been the most widely used anti-wear additive class in the automotive industry for over 60 years, yet the pathway to the generation of the protective tribofilm remains elusive. In this context, density functional theory (DFT) can be utilized to investigate the interactions between ZDDPs and materials surfaces. We employed DFT+<i>U</i>calculations to examine the electronic structure of bulk hematite and three relevant (0001) surface terminations: Fe-O-Fe, O-Fe-Fe, and HO-Fe-Fe. Our results demonstrate that, while the Fe-O-Fe and HO-Fe-Fe slabs are insulating, the O-Fe-Fe terminated slab is metallic due to the formation of surface states from O dangling bonds. Additionally, we found that ZDDP binds more strongly on the Fe-O-Fe slab, leading to changes in ZDDP geometry and atomic charges. Minimal changes are observed when bound to the other surfaces. We have provided an in-depth study of the electronic structure of hematite and its surfaces, and their interaction with ZDDP. We include a detailed study of the first-principles Hubbard U and Hund J for Fe 3d orbitals in bulk hematite, finding a negligible self-consistency effect but a significant projector dependence. The new insights from this work provide a new path that can be used to understand the decomposition pathways of ZDDPs on metallic surfaces.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143730563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrigendum: Quantitative Eliashberg theory of the superconductivity of thin films (2025<i>J. Phys.: Condens. Matter</i>37 065703).","authors":"Giovanni Alberto Ummarino, Alessio Zaccone","doi":"10.1088/1361-648X/adc965","DOIUrl":"https://doi.org/10.1088/1361-648X/adc965","url":null,"abstract":"","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":"37 19","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144004898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spin dynamics in linear magnetoelectric material Mn₃Ta₂O₈.","authors":"Hodaka Kikuchi, Shunsuke Hasegawa, Shinichiro Asai, Tao Hong, Kenta Kimura, Tsuyoshi Kimura, Shinichi Itoh, Takatsugu Masuda","doi":"10.1088/1361-648X/adc964","DOIUrl":"10.1088/1361-648X/adc964","url":null,"abstract":"<p><p>We performed inelastic neutron scattering experiments on single crystal samples of a linear magnetoelectric material Mn₃Ta₂O₈, which exhibits a collinear antiferromagnetic order, to reveal the spin dynamics. Numerous modes observed in the neutron spectra were reasonably reproduced by linear spin-wave theory on the basis of the spin Hamiltonian including eight Heisenberg interactions and an easy-plane type single-ion anisotropy. The presence of strong frustration was found in the identified spin Hamiltonian.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143788277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent developments on 2D-materials for gas sensing application.","authors":"Chandra Prakash, Ankit K Yadav, Minakshi Sharma, Vijay K Singh, Ambesh Dixit","doi":"10.1088/1361-648X/ada242","DOIUrl":"10.1088/1361-648X/ada242","url":null,"abstract":"<p><p>The industrialization has severely impacted the ecosystem because of intensive use of chemicals and gases, causing the undesired outcomes such as hazardous gases, e.g. carbon monoxide (CO), nitrous oxide (NO<i>_x</i>), ammonia (NH₃), hydrogen (H₂), hydrogen sulfide (H₂S) and even volatile organic compounds. These hazardous gases are not only impacting the living beings but also the entire ecosystem. Thus, it becomes essential to monitor these gases for their efficient management. There are continuous efforts to realize such sensors, which rely on the functional materials properties. The widely used such sensors use metal oxide nanomaterials. However, these are not very sensitive and operate at higher temperatures. In contrast, two-dimensional (2D) materials such as Graphene, Borophene, MXenes, and transition metal dichalcogenides (TMDs) including doping, functionalization, and heterostructures offer unique physical, chemical, and optoelectronic properties. The chemical properties with high specific surface area of 2D materials make them suitable for gas sensing applications. The present review covers the recent developments on 2D-layered material, including MoS₂, WS₂, h-BN, and Graphene, as well as their heterostructures for gas sensing applications. The review article also emphasizes their synthesis and characterization techniques, especially for 2D materials. The electronic properties of these materials are highly sensitive to any chemical changes, resulting in significant changes in their resistance. It led to the development of the highly scalable chemiresistive-based gas sensor. The sensing parameters such as sensitivity, selectivity, gas concentration, limit of detection, temperature, humidity, response, reproducibility, stability, recovery, and response time are discussed in detail to understand the gas sensing characteristics of these 2D materials. This review also includes the past developments, current status, and future scope of these 2D materials as highly efficient gas sensors. Thus, this review article may lead the researchers to design and develop highly sensitive gas sensors based on 2D materials.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142871852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning-assisted study on the thermal transport properties of two-dimensional M₃(C₆O₆)₂(M = Fe, Co, Ni) materials.","authors":"Meng-Jiao Teng, Li-Qin Deng, Pin-Zhen Jia, Wu-Xing Zhou","doi":"10.1088/1361-648X/adc77c","DOIUrl":"10.1088/1361-648X/adc77c","url":null,"abstract":"<p><p>Two-dimensional metal-organic frameworks (MOF) are widely used in electronic devices and energy storage due to their large surface area, abundant active sites, and tunable sizes. A deeper understanding of the thermal transport properties of two-dimensional MOF materials is essential for these applications. In this work, we systematically studied the thermal transport properties of M₃(C₆O₆)₂(M = Fe, Co, Ni) by using a machine learning interatomic potential method combined with the phonon Boltzmann transport equation. The results show that the lattice thermal conductivities of Fe₃(C₆O₆)₂, Co₃(C₆O₆)₂, and Ni₃(C₆O₆)₂at room temperature are 4.0 W mK^-1, 5.5 W mK^-1, and 5.8 W mK^-1, respectively. The differences in thermal conductivity primarily arise from variations in phonon relaxation times, which can be elucidated by examining the three-phonon scattering phase space. Further analysis of bond strengths reveals that the strong bonding between Fe and O impedes phonon propagation through the oxygen atoms, resulting in lower lattice thermal conductivity. Our work provides a fundamental reference for understanding thermal transport in two-dimensional MOF.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143753226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetic properties and electronic structure ofJeff=12square lattice quantum magnet Bi₂ErO₄Cl.","authors":"V K Singh, Seong-Hoon Kim, K Nam, U Jena, K Boya, P Khuntia, E Kermarrec, Kee Hoon Kim, S Bhowal, B Koteswararao","doi":"10.1088/1361-648X/adc6e5","DOIUrl":"10.1088/1361-648X/adc6e5","url":null,"abstract":"<p><p>Two-dimensional (2D) rare-earth-based square lattice (SL) quantum magnets provide a pathway to achieve distinctive ground states characterized by unusual excitations. We investigate the magnetic, heat capacity, structural, and electronic properties of a magnetic system Bi₂ErO₄Cl. This compound features a structurally ideal 2D SL composed of Er³⁺rare-earth magnetic ions. The single-phase polycrystalline sample was synthesized using hydrothermal, followed by a vacuum-sealed tube technique. The analysis of heat capacity and magnetic data indicates that the Er³⁺ion adopts aJeff=12state at low temperatures. Fitting the Curie-Weiss (CW) law to the low-temperature magnetic susceptibility data reveals a CW temperature of approximately -2.1 K, suggesting antiferromagnetic (AFM) interactions between the Er³⁺moments. Our first-principles calculations validate a 2D spin model relevant to the titled Er compound. The presence of AFM interaction between the Er³⁺ions is further confirmed using total energy calculations (DFT+<i>U</i>), aligning with the experimental results. The heat capacity measurements reveal the presence of magnetic long-range order below<i>T</i>_N= 0.47 K. The magnetic heat capacity data follows<i>T</i>^1.8power law dependence below<i>T</i>_N.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143742966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dissipationless edge transport in single-layer topological insulator Bi₄Br₄based device under high vacancy concentration.","authors":"Md Niloy Khan, Mahbub Alam","doi":"10.1088/1361-648X/adc5cf","DOIUrl":"10.1088/1361-648X/adc5cf","url":null,"abstract":"<p><p>Single-layer Bismuth Monobromide (SL-Bi₄Br₄) is a recently experimentally confirmed room temperature quantum spin hall insulator with a relatively large bulk band gap. In this paper, we investigate the electronic properties of SL-Bi₄Br₄and single-layer bismuth monobromide nanoribbon (SL-Bi₄Br₄NR) introducing different vacancy defects near the nanoribbon edges. With maximally localized wannier function (MLWF) constructed Hamiltonian we show that SL-Bi₄Br₄NR edge states are protected by bulk topology and robust against disorder. In conjunction with MLWF and non-equilibrium Green's function, we also show that in devices made from SL-Bi₄Br₄, transmission through the topologically protected edge states do not suffer from degradation when the device is sufficiently wide. Increasing channel length and defect concentration affect only the bulk states transmission leaving edge states transmission perfectly quantized. This resilience against disorder signifies SL-Bi₄Br₄'s promising candidacy for next-generation electronic & spintronics devices application.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143730560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spin polaron in a chiral molecule with an all quantum model.","authors":"Zhaoyang Wang, Xuan Liu, Jing Yang, Mengzhao Du, Sun Yin, Shijie Xie","doi":"10.1088/1361-648X/adc4a7","DOIUrl":"10.1088/1361-648X/adc4a7","url":null,"abstract":"<p><p>Recently, the chiral induced spin selectivity (CISS) has been demonstrated in different systems such as DNA, proteins, bacteriorhodopsin, helicene and other chiral molecules. In this phenomenon, the spin of the carriers will couple with the chirality of the system and exhibit special transport properties. The explanation of the mechanisms of CISS is still under debating, but it generally accepted that the chirality-induced spin-orbit coupling and the environment play pivotal roles. In addition, in such systems with strong electron-phonon coupling, the moving electrons and holes would interact with phonons to construct polarons as carriers. Therefore, to understand CISS it is needed to focus on the spin-related transport of the polarons. In this paper, we investigate the spin-charge property of a carrier in a chiral helix molecule described with an all-quantum model. Both the extended electron and bound states are obtained analytically. Our findings indicate that the spin and momentum of these carriers are locked, with the nature of this coupling being dictated by the chirality of the system. This work provides valuable insights for theoretical investigations into nonlinear equations and contributes to a deeper understanding of chiral carriers in the context of the CISS effect. Our solution is instructive for theoretical investigation on nonlinear excitations and our results shed new light on the chiral carriers to understand CISS effect.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143700806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}