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Ion correlations in quaternary ionic liquids electrolytes J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-23 Jiahuan Tong, Xiaodong Liang, Nicolas von Solms, Feng Huo, Bilin Zhuang
Lithium-ion batteries are currently the most popular and widely used energy storage devices, almost omnipresent within modern society in portable devices, electrical vehicles, energy storage stations, and so on. The demand for more efficient, more durable, and more sustainable batteries is rapidly growing. The electrolyte is a key element to improve the performance of lithium-ion batteries. In this
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Controlling magnon-photon coupling in a planar geometry J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-23 Dinesh Wagle, Anish Rai, Mojtaba T Kaffash, M Benjamin Jungfleisch
The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) sphere at room temperature. We investigate the dependence of the coupling strength on the size of the sphere
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Seeking borophene on Ni3Al(111): an experimental characterization of boron segregation and oxidation J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-19 Y Y Grisan Qiu, P Biasin, P Mantegazza, S Baronio, M Heinrich, M K Muntwiler, E Vesselli
Synthesis of a stable, well ordered honeycomb borophene (hB) phase has been achieved to date by exploiting Al(111) as a growth substrate, which provides the necessary charge doping to compensate the high hexagonal-holes density. However, B/Al(111) is governed by a strong B–Al interaction so to yield the actual formation of an AlB2 hB phase. Dilution of aluminum by alloying could then in principle weaken
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Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-14 K Nepal, C Ugwumadu, A Gautam, Keerti Kappagantula, D A Drabold
This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene added to an aluminum matrix. We examine the impact on electronic conduction caused by the presence of nitrogen impurities within the interfacial amorphous graphene
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Exciton-carrier coupling in a metal halide perovskite nanocrystal assembly probed by two-dimensional coherent spectroscopy J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-09 Esteban Rojas-Gatjens, David Otto Tiede, Katherine A Koch, Carlos Romero-Perez, Juan F Galisteo-López, Mauricio E Calvo, Hernán Míguez, Ajay Ram Srimath Kandada
The surface chemistry and inter-connectivity within perovskite nanocrystals play a critical role in determining the electronic interactions. They manifest in the Coulomb screening of electron–hole correlations and the carrier relaxation dynamics, among other many-body processes. Here, we characterize the coupling between the exciton and free carrier states close to the band-edge in a ligand-free formamidinium
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Advancing electron microscopy using deep learning J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-08 K Chen, A S Barnard
Electron microscopy, a sub-field of microanalysis, is critical to many fields of research. The widespread use of electron microscopy for imaging molecules and materials has had an enormous impact on our understanding of countless systems and has accelerated impacts in drug discovery and materials design, for electronic, energy, environment and health applications. With this success a bottleneck has
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Cathodes pinpoints for the next generation of energy storage devices: the LiFePO4 case study J. Phys. Mater. (IF 5.847) Pub Date : 2024-02-06 Beatriz Arouca Maia, Beatriz Moura Gomes, Antonio Nuno Guerreiro, Raquel Miriam Santos, Maria Helena Braga
There are still essential aspects regarding cathodes requiring a comprehensive understanding. These include identifying the underlying phenomena that prevent reaching the theoretical capacity, explaining irreversible losses, and determining the cut-off potentials at which batteries should be cycled. We address these inquiries by investigating the cell’s capacity and phase dynamics by looking into the
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Low-temperature crosslinked soluble polyimide as a dielectric for organic thin-film transistors: enhanced electrical stability and performance J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-30 Sungmi Yoo, Kyeongmin Kim, Cho Long Kim, Seong Hun Choi, Jong Chan Won, Taek Ahn, Yun Ho Kim
We have prepared a low-temperature cross-linked soluble polyimide (SPI) as a dielectric material for organic thin-film transistors (OTFTs) to improve their electrical stability. Two types of SPIs (DOCDA/6FHAB and 6FDA/6FHAB) were synthesized by a one-step polymerization process using 5-(2,5-dioxytetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride (DOCDA) and hexafluoroisopropylidene
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Electric field control of magnetization reversal in FeGa/PMN-PT thin films J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-25 Gajanan Pradhan, Federica Celegato, Alessandro Magni, Marco Coisson, Gabriele Barrera, Paola Rizzi, Paola Tiberto
Artificial magnetoelectric materials possess huge potential to be utilized in the development of energy efficient spintronic devices. In the past decade, the search for a good ferromagnetic/ferroelectric combination having the ability to create high magnetoelectric coupling, created new insights and also new challenges. In this report, the magnetoelectric effect is studied in the FeGa/PMN-PT(001) multiferroic
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Fourier transformation based analysis routine for intermixed longitudinal and transversal hysteretic data for the example of a magnetic topological insulator J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-23 Erik Zimmermann, Michael Schleenvoigt, Alina Rupp, Gerrit Behner, Jan Karthein, Justus Teller, Peter Schüffelgen, Hans Lüth, Detlev Grützmacher, Thomas Schäpers
We present a symmetrization routine that optimizes and eases the analysis of imperfect, experimental data featuring the anomalous Hall hysteresis. This technique can be transferred to any hysteresis with (point-)symmetric behavior. The implementation of the method is demonstrated exemplarily using intermixed longitudinal and transversal data obtained from a chromium-doped ternary topological insulator
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Applications of scanning probe microscopy in neuroscience research J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-22 Danielle M McRae, Zoya Leonenko
Scanning probe microscopy techniques allow for label-free high-resolution imaging of cells, tissues, and biomolecules in physiologically relevant conditions. These techniques include atomic force microscopy (AFM), atomic force spectroscopy, and Kelvin probe force microscopy, which enable high resolution imaging, nanomanipulation and measurement of the mechanoelastic properties of neuronal cells, as
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Extreme in-plane thermal conductivity anisotropy in Rhenium-based dichalcogenides J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-19 Sina Tahbaz, Simone Pisana
Anisotropies in thermal conductivity are important for thermal management in a variety of applications, but also provide insight on the physics of nanoscale heat transfer. As materials are discovered with more extreme transport properties, it is interesting to ask what the limits are for how dissimilar the thermal conductivity can be along different directions in a crystal. Here we report on the thermal
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Hamiltonian learning with real-space impurity tomography in topological moiré superconductors J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-18 Maryam Khosravian, Rouven Koch, Jose L Lado
Extracting Hamiltonian parameters from available experimental data is a challenge in quantum materials. In particular, real-space spectroscopy methods such as scanning tunneling spectroscopy allow probing electronic states with atomic resolution, yet even in those instances extracting the effective Hamiltonian is an open challenge. Here we show that impurity states in modulated systems provide a promising
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The impact of metal dopants on the properties of nZVI: a theoretical study J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-18 Jessica Jein White, Jack Jon Hinsch, William W Bennett, Yun Wang
The substitution of Fe with metal dopants shows potential for enhancing the wastewater remediation performance of nanoscale zero-valent iron (nZVI). However, the specific roles and impacts of these dopants remain unclear. To address this knowledge gap, we employed density functional theory (DFT) to investigate metal-doped nZVI on stepped surfaces. Four widely used metal dopants (Ag, Cu, Ni, and Pd)
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Enhanced doping and structure relaxation of unsubstituted polythiophene through oxidative chemical vapor deposition and mild plasma treatment J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-17 Yuxuan Zhang, Mingyuan Liu, Hyo-Young Yeom, Byung-Hyuk Jun, Jinwook Baek, Kwangsoo No, Han-Wook Song, Sunghwan Lee
We report on the enhancement of electrical properties of unsubstituted polythiophene (PT) through oxidative chemical vapor deposition (oCVD) and mild plasma treatment. The work function of p-type oCVD PT increases after the treatment, indicating the Fermi level shift toward the valence band edge and an increase in carrier density. In addition, regardless of initial values, nearly the same work function
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Electronic transport properties of spin-crossover polymer plus polyaniline composites with Fe3O4 nanoparticles J. Phys. Mater. (IF 5.847) Pub Date : 2024-01-16 Esha Mishra, WaiKiat Chin, Kayleigh A McElveen, Thilini K Ekanayaka, M Zaid Zaz, Gauthami Viswan, Ruthi Zielinski, Alpha T N’Diaye, David Shapiro, Rebecca Y Lai, Robert Streubel, Peter A Dowben
Adding Fe3O4 nanoparticles to composites of [Fe(Htrz)2(trz)](BF4) spin-crossover polymer and polyaniline (PANI) drives a phase separation of both and restores the molecular structure and cooperative effects of the spin-crossover polymer without compromising the increased conductivity gained through the addition of PANI. We observe an increased on-off ratio for the DC conductivity owing to an enlarged
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Roadmap on multifunctional materials for drug delivery J. Phys. Mater. (IF 5.847) Pub Date : 2023-12-21 Benjamin Nottelet, Sytze Buwalda, Cornelus F van Nostrum, Xiaofei Zhao, Chao Deng, Zhiyuan Zhong, Ernest Cheah, Darren Svirskis, Chloe Trayford, Sabine van Rijt, Cécilia Ménard-Moyon, Ravi Kumar, Nermin Seda Kehr, Natan Roberto de Barros, Ali Khademhosseini, Han-Jun Kim, Tina Vermonden
This Roadmap on drug delivery aims to cover some of the most recent advances in the field of materials for drug delivery systems (DDSs) and emphasizes the role that multifunctional materials play in advancing the performance of modern DDSs in the context of the most current challenges presented. The Roadmap is comprised of multiple sections, each of which introduces the status of the field, the current
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Soft matter roadmap * * We would like to dedicate this work to the memory or our colleague and co-author, Stefan Egelhaaf. As this Soft Matter Roadmap was completed and just published online, we received the sad news that Stefan passed away. We mourn the loss of an incredible scientist and a wonderful colleague, a loss for the whole soft matter community. Many of the achievements and new ideas described J. Phys. Mater. (IF 5.847) Pub Date : 2023-12-12 Jean-Louis Barrat, Emanuela Del Gado, Stefan U Egelhaaf, Xiaoming Mao, Marjolein Dijkstra, David J Pine, Sanat K Kumar, Kyle Bishop, Oleg Gang, Allie Obermeyer, Christine M Papadakis, Constantinos Tsitsilianis, Ivan I Smalyukh, Aurelie Hourlier-Fargette, Sebastien Andrieux, Wiebke Drenckhan, Norman Wagner, Ryan P Murphy, Eric R Weeks, Roberto Cerbino, Yilong Han, Luca Cipelletti, Laurence Ramos, Wilson
Soft materials are usually defined as materials made of mesoscopic entities, often self-organised, sensitive to thermal fluctuations and to weak perturbations. Archetypal examples are colloids, polymers, amphiphiles, liquid crystals, foams. The importance of soft materials in everyday commodity products, as well as in technological applications, is enormous, and controlling or improving their properties
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The role of stacking on the electronic structure of MoSe2 at small twist angles J. Phys. Mater. (IF 5.847) Pub Date : 2023-12-07 S Patra, M Das, P Mahadevan
We consider two high symmetry stackings AA and AB and examine the changes induced in the electronic structure by considering small angles of rotation of 3.48° from both these stackings. In both cases we largely recover the low energy electronic structure of the untwisted limit. We additionally find flat bands emerging above the dispersing bands. Surprisingly, while the rotation from the AA end leads
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How to identify and characterize strongly correlated topological semimetals J. Phys. Mater. (IF 5.847) Pub Date : 2023-12-07 Diana M Kirschbaum, Monika Lužnik, Gwenvredig Le Roy, Silke Paschen
How strong correlations and topology interplay is a topic of great current interest. In this perspective paper, we focus on correlation-driven gapless phases. We take the time-reversal symmetric Weyl semimetal as an example because it is expected to have clear (albeit nonquantized) topological signatures in the Hall response and because the first strongly correlated representative, the noncentrosymmetric
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Tilt-induced charge localisation in phosphide antiperovskite photovoltaics J. Phys. Mater. (IF 5.847) Pub Date : 2023-12-04 Ruiqi Wu, Alex M Ganose
Antiperovskites are a rich family of compounds with applications in battery cathodes, superconductors, solid-state lighting, and catalysis. Recently, a novel series of antimonide phosphide antiperovskites (A 3SbP, where A = Ca, Sr Ba) were proposed as candidate photovoltaic absorbers due to their ideal band gaps, small effective masses and strong optical absorption. In this work, we explore this series
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Generating smooth potential landscapes with thermal scanning-probe lithography J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-30 Nolan Lassaline
Scanning probe microscopy (SPM) uses a sharp tip to interrogate surfaces with atomic precision. Inputs such as mechanical, electrical, or thermal energy can activate highly localized interactions, providing a powerful class of instruments for manipulating materials on small length scales. Thermal scanning-probe lithography (tSPL) is an advanced SPM variant that uses a silicon tip on a heated cantilever
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Contact engineering for organic CMOS circuits J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-24 Quanhua Chen, Jiarong Cao, Yuan Liu, Rujun Zhu, Jinxiu Cao, Zhao Liu, Xing Zhao, Jianfei Wu, Guangan Yang, Li Zhu, Jie Wu, Zhihao Yu, Huabin Sun, Run Li, Shujian Xue, Binhong Li, Chee Leong Tan, Yong Xu
Organic field-effect transistors (OFETs) have been widely studied, but there are still challenges to achieving large-scale integration in organic complementary metal–oxide–semiconductor (CMOS) circuits. In this article, we discuss the issues on organic CMOS circuits from a device perspective. Our discussion begins with a systematic analysis of the principal parameters of the building block, a CMOS
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Sequential deposition of FeNC–Cu tandem CO2 reduction electrocatalysts towards the low overpotential production of C2+ alcohols J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-23 Nattaphon Hongrutai, Saurav Ch Sarma, Yuxiang Zhou, Simon Kellner, Angus Pedersen, Kari Adourian, Helen Tyrrell, Mary P Ryan, Joongjai Panpranot, Jesús Barrio
Tandem CO2 reduction electrocatalysts that combine a material that selectively produces CO with Cu are capable of producing hydrocarbons at low overpotentials and high selectivity. However, controlling the spatial distribution and the catalytic activity of the CO-making catalyst remains a challenge. In this work, a novel tandem electrocatalyst that overcomes limitations of simple Cu catalysts, namely
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Theoretically predicting the solubility of polydisperse polymers using Flory–Huggins theory J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-16 Stijn H M van Leuken, Rolf A T M van Benthem, Remco Tuinier, Mark Vis
Polydispersity affects physical properties of polymeric materials, such as solubility in solvents. Most biobased, synthetic, recycled, mixed, copolymerized, and self-assembled polymers vary in size and chemical structure. Using solvent fractionation, this variety in molecular features can be reduced and a selection of the sizes and molecular features of the polymers can be made. The significant chemical
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Pipelines for automating compliance-based elimination and extension (PACE2): a systematic framework for high-throughput biomolecular materials simulation workflows J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-16 Srinivas C Mushnoori, Ethan Zang, Akash Banerjee, Mason Hooten, Andre Merzky, Matteo Turilli, Shantenu Jha, Meenakshi Dutt
The formation of biomolecular materials via dynamical interfacial processes, such as self-assembly and fusion, for diverse compositions and external conditions can be efficiently probed using ensemble Molecular Dynamics (MD). However, this approach requires many simulations when investigating a large composition phase space. In addition, there is difficulty in predicting whether each simulation will
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The effects of amino acid functionalisation on the optoelectronic properties and self-assembly of perylene bisimides J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-13 Thomas A Welsh, Jacquelyn G Egan, Bart Dietrich, Niamh Rafferty, Rebecca E Ginesi, James Doutch, Ralf Schweins, Emily R Draper
Here we report on ten water-soluble perylene bisimides that are functionalised with the amino acids L-alanine, L-aspartic acid, L-glutamic acid, L-phenylalanine, L-histidine, L-leucine, L-methionine, L-valine, L-tryptophan, and L-tyrosine. Reduction potentials, absoprtion and emission spectra, molar absorptivity, quantum yield, and rheology are obtained and the data interpreted for each species in
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Droplet-based assembly of magnetic superballs J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-10 S Schyck, J-M Meijer, M P M Schelling, A V Petukhov, L Rossi
The self-assembly of materials driven by the inherent directionality of the constituent particles is of both practical and fundamental interest because it enables the fabrication of complex and hierarchical structures with tailored functionalities. By employing evaporation assisted self-assembly, we form opal-like structures with micro-sized magnetic superball particles. We study the structure formation
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Efficient and selective glycerol electrolysis for the co-production of lactic acid and hydrogen with multi-component Pt/C-zeolite catalyst J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-09 Muhammad Aslam, Miriam Navlani-García, Diego Cazorla-Amorós, Hui Luo
Among various electrochemical reactions to produce fuels and chemicals, glycerol electrolysis to co-produce hydrogen and lactic acid has received great attention. However, studies have shown the benchmark Pt based catalysts are insufficient in selectively catalysing the glycerol to lactic acid transformation, resulting in a low yield of lactic acid. Here we report a study on glycerol electrolysis with
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Linear scaling approach for optical excitations using maximally localized Wannier functions J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-06 Konrad Merkel, Frank Ortmann
We present a theoretical method for calculating optical absorption spectra based on maximally localized Wannier functions, which is suitable for large periodic systems. For this purpose, we calculate the exciton Hamiltonian, which determines the Bethe–Salpeter equation for the macroscopic polarization function and optical absorption characteristics. The Wannier functions are specific to each material
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Ionic hydrogels-based triboelectric nanogenerators for self-powered human–machine interfaces J. Phys. Mater. (IF 5.847) Pub Date : 2023-11-02 Siyang Liang, Chang Li, Mengjuan Niu, Pengcheng Zhu, Zhifeng Pan, Yanchao Mao
Ionic hydrogels outperform existing rigid and bulky electronics with many remarkable advantages including great flexibility, high conductivity, exceptional biocompatibility, and transparency, making them ideal materials for wearable human–machine interfaces (HMIs). However, traditional HMIs typically rely on external power sources, which impose limitations in terms of device size and weight, thereby
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Recent developments in non-fullerene-acceptor-based indoor organic solar cells J. Phys. Mater. (IF 5.847) Pub Date : 2023-10-20 Swarup Biswas, Yongju Lee, Hyojeong Choi, Hyeok Kim
For over a decade, donor-acceptor blends composed of organic donors and fullerene acceptors dominated indoor organic solar cells (IOSCs). Numerous researchers have invested time to conduct extensive studies on developing new donor acceptor materials, interlayers, minimizing energy losses, and enhancing the open-circuit voltage (V OC) through device and material engineering, and optimizing device architectures
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Asymmetric nanoparticle oxidation observed in-situ by the evolution of diffraction contrast J. Phys. Mater. (IF 5.847) Pub Date : 2023-10-19 Agus R Poerwoprajitno, Nitish Baradwaj, Manish Kumar Singh, C Barry Carter, Dale L Huber, Rajiv Kalia, John Watt
The use of transmission electron microscopy (TEM) to observe real-time structural and compositional changes has proven to be a valuable tool for understanding the dynamic behavior of nanomaterials. However, identifying the nanoparticles of interest typically require an obvious change in position, size, or structure, as compositional changes may not be noticeable during the experiment. Oxidation or
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In situ XPS of competitive CO2/H2O absorption in an ionic liquid J. Phys. Mater. (IF 5.847) Pub Date : 2023-10-10 Jordan Cole, Zoë Henderson, Andrew G Thomas, Christopher Castle, Adam J Greer, Christopher Hardacre, Mattia Scardamaglia, Andrey Shavorskiy, Karen L Syres
Superbasic ionic liquids (SBILs) are being investigated as potential carbon dioxide (CO2) gas capture agents, however, the presence of H2O in the flue stream can inhibit the uptake of CO2. In this study a thin film of the SBIL trihexyltetradecylphosphonium 1,2,4-triazolide ([P66614][124Triz]) was deposited onto rutile TiO2 (110) using in situ electrospray deposition and studied upon exposure to CO2
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Intrinsic thermal expansion and tunability of thermal expansion coefficient in Ni-substituted Co2V2O7 J. Phys. Mater. (IF 5.847) Pub Date : 2023-10-06 Erica T B Esteban, Jasmine J Garcia, Sophie R Windover, Joya A Cooley
Framework oxide materials are well-known for exhibiting not only negative thermal expansion (NTE), but also demonstrating thermal expansion that can be controlled using composition as a tuning parameter. In this work, we study the intrinsic thermal expansion properties of Co2V2O7, which has shown bulk linear NTE, and attempt to understand how substituting Ni2+ for Co2+ will affect the thermal expansion
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Universal material trends in extraordinary magnetoresistive devices J. Phys. Mater. (IF 5.847) Pub Date : 2023-09-29 Ricci Erlandsen, Thierry Désiré Pomar, Lior Kornblum, Nini Pryds, Rasmus Bjørk, Dennis V Christensen
Extraordinary magnetoresistance (EMR) is a geometric magnetoresistance emerging in hybrid systems typically comprising a high-mobility material and a metal. Due to a field-dependent redistribution of electrical currents in these devices, the electrical resistance at room temperature can increase by 107% when applying a magnetic field of 5 T. Although EMR holds considerable potential for realizing sensitive
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Machine learning (ML)-assisted surface tension and oscillation-induced elastic modulus studies of oxide-coated liquid metal (LM) alloys J. Phys. Mater. (IF 5.847) Pub Date : 2023-09-26 Kazi Zihan Hossain, Sharif Amit Kamran, Alireza Tavakkoli, M Rashed Khan
Pendant drops of oxide-coated high-surface tension fluids frequently produce perturbed shapes that impede interfacial studies. Eutectic gallium indium or Galinstan are high-surface tension fluids coated with a ∼5 nm gallium oxide (Ga2O3) film and falls under this fluid classification, also known as liquid metals (LMs). The recent emergence of LM-based applications often cannot proceed without analyzing
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Using a fast hybrid pixel detector for dose-efficient diffraction imaging beam-sensitive organic molecular thin films J. Phys. Mater. (IF 5.847) Pub Date : 2023-09-22 Mingjian Wu, Daniel G Stroppa, Philipp Pelz, Erdmann Spiecker
We discuss the benefits and showcase the applications of using a fast, hybrid-pixel detector (HPD) for 4D-STEM experiments and emphasize that in diffraction imaging the structure of molecular nano-crystallites in organic solar cell thin films with a dose-efficient modality 4D-scanning confocal electron diffraction (4D-SCED). With 4D-SCED, spot diffraction patterns form from an interaction area of a
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Decoding short-range order in cation-disordered rocksalt materials using Metropolis non-negative matrix factorisation J. Phys. Mater. (IF 5.847) Pub Date : 2023-09-15 Xiao Hua, Thomas Dean, Serena A Cussen, Andrew L Goodwin
We present a methodology for accessing the cation short-range ordering (SRO) in disordered rocksalt (DRX) materials by decomposing their pair distribution function (PDF) pattern in terms of a set of basis PDFs, pre-determined via Metropolis non-negative matrix factorisation analysis. These basis PDFs, underpinned by structure modelling, point to specific SRO types that subsequently enable identification
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Infernal and exceptional edge modes: non-Hermitian topology beyond the skin effect J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-31 M Michael Denner, Titus Neupert, Frank Schindler
The classification of point gap topology in all local non-Hermitian (NH) symmetry classes has been recently established. However, many entries in the resulting periodic table have only been discussed in a formal setting and still lack a physical interpretation in terms of their bulk-boundary correspondence. Here, we derive the edge signatures of all two-dimensional phases with intrinsic point gap topology
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A strategy for 2D MXenes as thermal management materials by laser shock nanoshaping J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-24 Danilo de Camargo Branco, Gary J Cheng
The two-dimensional (2D) titanium carbides ( Tin+1Cn ) belong to the MXene family, with carbon and titanium alternating in a flake structure, and are emerging options for nanoelectronics applications. In this study, the feasibility of nanoshaping of 2D titanium carbides for tunable thermal management materials was investigated. 2D titanium carbides demonstrate high degrees of formability on nanoscale
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Toward automated screening of band gap sensitivity in 2D materials J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-23 Roman Fanta, Matúš Dubecký
Computational materials science relies on simple, yet efficient, measures and indicators of the modeled materials’ properties. Ideally, the desired properties should be linked to such scalar quantities that can be obtained in polynomial time and efficiently integrated within automated high-throughput screening loops for screening and sorting out the evaluated materials to the desired categories. Here
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15 MeV proton damage in NiO/β-Ga2O3 vertical rectifiers J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-22 Jian-Sian Li, Chao-Ching Chiang, Xinyi Xia, Hsiao-Hsuan Wan, Jihyun Kim, Fan Ren, S J Pearton
15 MeV proton irradiation of vertical geometry NiO/β-Ga2O3 heterojunction rectifiers produced reductions in reverse breakdown voltage from 4.3 kV to 3.7 kV for a fluence of 1013ions·cm−2 and 1.93 kV for 1014 ions·cm−2. The forward current density was also decreased by 1–2 orders of magnitude under these conditions, with associated increase in on-state resistance R ON. These changes are due to a reduction
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Defect-induced weak collective pinning in superconducting YB6 crystals J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-21 Zuzana Pribulová, Miroslav Marcin, Jozef Kačmarčík, Slavomír Gabáni, Karol Flachbart, Natalya Shitsevalova, Takao Mori, Nikolay Sluchanko, Mikhail Anisimov, Vladimír Cambel, Ján Šoltýs, Christophe Marcenat, Thierry Klein, Peter Samuely
In a previous study (2017 Phys. Rev. B 96 144501), a strong variation in the superconducting transition temperature T c of YB6 differing by a factor of two has been explained by a change in the density of yttrium and boron vacancies tuning the electron–phonon interaction. Here, by using an array of miniature Hall probes, we address the penetration of the magnetic field, pinning, and critical current
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High-harmonic generation in spin and charge current pumping at ferromagnetic or antiferromagnetic resonance in the presence of spin–orbit coupling J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-14 Jalil Varela-Manjarres, Branislav K Nikolić
One of the cornerstone effects in spintronics is spin pumping by dynamical magnetization that is steadily precessing (around, for example, the z-axis) with frequency ω 0 due to absorption of low-power microwaves of frequency ω 0 under the resonance conditions and in the absence of any applied bias voltage. The two-decades-old ‘standard model’ of this effect, based on the scattering theory of adiabatic
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Applications of soft biomaterials based on organic and hybrid thin films deposited from the vapor phase J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-08 Sophie Marcelja, Lisanne Demelius, Taher Abu Ali, Margherita Aghito, Fabian Muralter, Gabriel Hernandez Rodriguez, Marianne Kräuter, Katrin Unger, Lukas Wolfsberger, Anna Maria Coclite
Soft biomaterials are a crucial component in several application fields. They are used, for example, in biomedical implants, biosensors, drug delivery systems as well as in tissue engineering. In parallel to extensive ongoing efforts to synthesize new materials, the development of means to tailor the materials’ surface properties and thus their interaction with the environment is an important field
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Roadmap on energy harvesting materials J. Phys. Mater. (IF 5.847) Pub Date : 2023-08-07 Vincenzo Pecunia, S Ravi P Silva, Jamie D Phillips, Elisa Artegiani, Alessandro Romeo, Hongjae Shim, Jongsung Park, Jin Hyeok Kim, Jae Sung Yun, Gregory C Welch, Bryon W Larson, Myles Creran, Audrey Laventure, Kezia Sasitharan, Natalie Flores-Diaz, Marina Freitag, Jie Xu, Thomas M Brown, Benxuan Li, Yiwen Wang, Zhe Li, Bo Hou, Behrang H Hamadani, Emmanuel Defay, Veronika Kovacova, Sebastjan Glinsek
Ambient energy harvesting has great potential to contribute to sustainable development and address growing environmental challenges. Converting waste energy from energy-intensive processes and systems (e.g. combustion engines and furnaces) is crucial to reducing their environmental impact and achieving net-zero emissions. Compact energy harvesters will also be key to powering the exponentially growing
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Requisites on material viscoelasticity for exceptional points in passive dynamical systems J. Phys. Mater. (IF 5.847) Pub Date : 2023-07-12 Abhishek Gupta, Ramathasan Thevamaran
Recent progress in non-Hermitian physics and the notion of exceptional point (EP) degeneracies in elastodynamics have led to the development of novel metamaterials for the control of elastic wave propagation, hypersensitive sensors, and actuators. The emergence of EPs in a parity-time symmetric system relies on judiciously engineered balanced gain and loss mechanisms. Creating gain requires complex
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Direct observation of the magnetic anisotropy of an Fe(II) spin crossover molecular thin film J. Phys. Mater. (IF 5.847) Pub Date : 2023-07-11 Ashley S Dale, Saeed Yazdani, Thilini K Ekanayaka, Esha Mishra, Yuchen Hu, Peter A Dowben, John W Freeland, Jian Zhang, Ruihua Cheng
In this work, we provide clear evidence of magnetic anisotropy in the local orbital moment of a molecular thin film based on the SCO complex [Fe(H2B(pz)2)2(bipy)] (pz = pyrazol−1−yl, bipy = 2,2′−bipyridine). Field dependent x-ray magnetic circular dichroism measurements indicate that the magnetic easy axis for the orbital moment is along the surface normal direction. Along with the presence of a critical
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Unusually large magnetic moment and tricritical behavior of the CMR compound NaCr2O4 revealed with high resolution neutron diffraction and μ+ SR J. Phys. Mater. (IF 5.847) Pub Date : 2023-07-04 Elisabetta Nocerino, Ola Kenji Forslund, Hiroya Sakurai, Akinori Hoshikawa, Nami Matsubara, Daniel Andreica, Anton Zubayer, Federico Mazza, Takashi Saito, Jun Sugiyama, Izumi Umegaki, Yasmine Sassa, Martin Månsson
The mixed valence Cr3+/Cr4+ compound NaCr2O4, hosts a plethora of unconventional electronic properties. In the present study, muon spin rotation/relaxation ( μ+ SR) and high-resolution time-of-flight neutron powder diffraction measurements were carried out on high-quality samples to clarify the complex magnetic ground state of this unique material. We identified a commensurate canted antiferromagnetic
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Different healing characteristics of thiol-bearing molecules on CVD-grown MoS2 J. Phys. Mater. (IF 5.847) Pub Date : 2023-07-04 Giovanna Feraco, Oreste De Luca, Ali Syari’ati, Sardar Hameed, Abdurrahman Ali El Yumin, Jianting Ye, Raffaele G Agostino, Petra Rudolf
Vacancies in atomically thin molybdenum disulphide play an essential role in controlling its optical and electronic properties, which are crucial for applications in sensorics, catalysis or electronics. For this reason, defect engineering employing thiol-terminated molecules is used to heal and/or functionalise defective nanosheets. In this work, chemical vapour deposition-grown MoS2 with different
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Incorporation of tungsten or cobalt into TaN barrier layers controls morphology of deposited copper J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-30 Cara-Lena Nies, Michael Nolan
Progress in semiconductor devices, which has enabled the information and communications technology explosion of the 21st century, has been driven by Moore’s Law and the accompanying aggressive scaling of transistors. However, it is now acknowledged that the currently used copper interconnects are becoming a bottleneck in sub-nm scaling. Semiconductor devices require a diffusion barrier and a seed layer
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Towards control of the chirality sign at ultrathin metal films: Bi at 2Ni/Co J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-26 Silvia Gallego
Proximity effects can be used to introduce spin–orbit interactions in magnetic metallic layers in contact to a heavy metal (HM). This well known phenomenon has been exploited to induce chiral spin textures at Co ultrathin films, where the left- or right- handedness can be tuned by the HM layer position, based on the broken inversion symmetry of the film and the existence of an additive interface effect
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From spectral analysis to hysteresis loops: a breakthrough in the optimization of magnetic nanomaterials for bioapplications J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-13 Gabriele Barrera, Paolo Allia, Paola Tiberto
An innovative method is proposed to determine the most important magnetic properties of bioapplication-oriented magnetic nanomaterials exploiting the connection between hysteresis loop and frequency spectrum of magnetization. Owing to conceptual and practical simplicity, the method may result in a substantial advance in the optimization of magnetic nanomaterials for use in precision medicine. The techniques
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Wet-jet milling exfoliated hexagonal boron nitride as industrial anticorrosive pigment for polymeric coatings J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-08 Miguel Angel Molina-Garcia, Sebastiano Bellani, Antonio Esau Del Rio Castillo, Irene Conticello, Luca Gabatel, Marilena Isabella Zappia, Matilde Eredia, Sanjay Thorat, Beatriz Martin-Garcia, Luca Ceseracciu, Marco Piccinni, Francesco Bonaccorso
The incorporation of inorganic nanofillers into polymeric matrices represents an effective strategy for the development of smart coatings for corrosion protection of metallic substrates. In this work, wet-jet milling exfoliation was used to massively produce few-layer hexagonal boron nitride (h-BN) flakes as a corrosion-protection pigment in polyisobutylene (PIB)-based composite coatings for marine
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Tuning the spin texture of graphene with size-specific Cu n clusters: a first-principles study J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-08 Ramasamy Murugesan, Ewald Janssens, Joris Van de Vondel, Valeri Afanas’ev, Michel Houssa
The size dependent interaction of Cu n (n = 1‒5) clusters with pristine and defective (C-vacancy) graphene is studied by employing density functional theory. The computed binding energies are in the range of ∼0.5 eV for pristine graphene and ∼3.5 eV for defective graphene, indicating a much stronger interaction in the later system. The induced spin–orbit coupling interaction, due to the proximity of
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Halogenation effect on physicochemical properties of Ti3C2 MXenes J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-02 Seyedeh Alieh Kazemi, Samuel Akinlolu Ogunkunle, Oscar Allen, William Wen, Alan Wee-Chung Liew, Shiwei Yin, Yun Wang
Halogenated MXenes have been experimentally demonstrated to be promising two-dimensional materials for a wide range of applicability. However, their physicochemical properties are largely unknown at the atomic level. In this study, we applied density functional theory (DFT) to theoretically investigate the halogenation effects on the structural, electronic, and mechanical characteristics of Ti3C2,
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Roadmap on commercialization of metal halide perovskite photovoltaics J. Phys. Mater. (IF 5.847) Pub Date : 2023-06-02 Shien-Ping Feng, Yuanhang Cheng, Hin-Lap Yip, Yufei Zhong, Patrick W K Fong, Gang Li, Annie Ng, Cong Chen, Luigi Angelo Castriotta, Fabio Matteocci, Luigi Vesce, Danila Saranin, Aldo Di Carlo, Puqun Wang, Jian Wei Ho, Yi Hou, Fen Lin, Armin G Aberle, Zhaoning Song, Yanfa Yan, Xu Chen, Yang (Michael) Yang, Ali Asgher Syed, Ishaq Ahmad, Tiklun Leung, Yantao Wang, JingYang Lin, Alan Man Ching Ng, Yin
Perovskite solar cells (PSCs) represent one of the most promising emerging photovoltaic technologies due to their high power conversion efficiency. However, despite the huge progress made not only in terms of the efficiency achieved, but also fundamental understanding of the relevant physics of the devices and issues which affect their efficiency and stability, there are still unresolved problems and
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Renormalized phonon spectrum in the Su–Schrieffer–Heeger model J. Phys. Mater. (IF 5.847) Pub Date : 2023-05-30 Stepan Fomichev, Mona Berciu
Motivated to understand phonon spectrum renormalization in the ground state of the half-filled Su–Schrieffer–Heeger model, we use the Born–Oppenheimer approximation together with the harmonic approximation to evaluate semi-analytically the all-to-all real-space ionic force constants generated through both linear and quadratic electron-phonon coupling. We then compute the renormalized phonon spectrum
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How to grow single-crystalline and epitaxial NiTi films in (100)- and (111)-orientation J. Phys. Mater. (IF 5.847) Pub Date : 2023-05-26 Klara Lünser, Andreas Undisz, Kornelius Nielsch, Sebastian Fähler
Understanding the martensitic microstructure in nickel–titanium (NiTi) thin films helps to optimize their properties for applications in microsystems. Epitaxial and single-crystalline films can serve as model systems to understand the microstructure, as well as to exploit the anisotropic mechanical properties of NiTi. Here, we analyze the growth of NiTi on single-crystalline MgO(100) and Al2O3(0001)