JPhys Materials最新文献

{"title":"The Effects of Amino Acid Functionalisation on the Optoelectronic Properties and Self-Assembly of Perylene Bisimides","authors":"Thomas A. Welsh, Jacquelyn G Egan, Bart Dietrich, Niamh Rafferty, Rebecca E Ginesi, James Doutch, Ralf Schweins, Emily R Draper","doi":"10.1088/2515-7639/ad08d2","DOIUrl":"https://doi.org/10.1088/2515-7639/ad08d2","url":null,"abstract":"Abstract 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 aqueous solution or hydrogels in order to provide a comprehensive understanding of the subtle effects of amino acid functionalisation on the optoelectronic and supramolecular properties.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"58 28","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134993041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Droplet-based Assembly of Magnetic Superballs","authors":"Sarah N Schyck, Janne-Mieke Meijer, Max P M Schelling, Andrei V Petukhov, Laura Rossi","doi":"10.1088/2515-7639/ad08d3","DOIUrl":"https://doi.org/10.1088/2515-7639/ad08d3","url":null,"abstract":"Abstract 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 of different superball shapes during evaporation of a dispersion droplet with in-situ small angle x-ray scattering with microradian resolution in the absence and presence of an external magnetic field. In the absence of a magnetic field, strong shape-dependent structures form as the water evaporates from the system. Applying a magnetic field to the droplet has a unique effect on the system; strong magnetic fields inhibit the growth of well-ordered assemblies due to the formation of out-of-equilibrium dipolar structures while lower magnetic fields allow particles to rearrange and orient without inhibition. In this work, we show how the superball assembly inside a droplet can be controlled by the magnetic field strength and the superball shape. The tunability of these parameters not only enables the controllable formation of macroscopic colloidal assemblies but also opens up possibilities for the development of functional materials with tailored properties on a macro-scale.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"64 26","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135091302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient and selective glycerol electrolysis for the co-production of lactic acid and hydrogen with multi-component Pt/C-zeolite catalyst","authors":"Muhammad Aslam, Miriam Navlani-García, Diego Cazorla-Amorós, Hui Luo","doi":"10.1088/2515-7639/ad0561","DOIUrl":"https://doi.org/10.1088/2515-7639/ad0561","url":null,"abstract":"Abstract 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 anion-exchange membrane electrode assembly electrolyser. The reaction conditions including mass transport, temperature, current density and KOH concentration were optimised, among which temperature played a significant role in facilitating the reaction rate and thermodynamics. With the optimised condition a multicomponent Pt/C-zeolite electrocatalyst system (Pt/C-CBV600) was developed and tested, which is capable to increase the lactic acid selectivity to 57.3% from the 33.8% with standalone Pt/C. Although the detailed mechanism required further investigation, it is hypothesised that the CBV600 zeolite with abundant Lewis acid surface sites can effectively bind the dihydroxyacetone intermediate, and drive the reaction towards pyruvaldehyde heterogeneously, the key step to form lactic acid.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":" 10","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135242641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Linear Scaling Approach for Optical Excitations Using Maximally Localized Wannier Functions","authors":"Konrad Merkel, Frank Ortmann","doi":"10.1088/2515-7639/ad06cd","DOIUrl":"https://doi.org/10.1088/2515-7639/ad06cd","url":null,"abstract":"Abstract 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 and provide a minimal and therefore computationally convenient basis. Furthermore, their strong localization greatly improves the computational performance in two ways: first, the resulting Hamiltonian becomes very sparse and, second, the electron–hole interaction terms can be evaluated efficiently in real space, where large electron–hole distances are handled by a multipole expansion. For the calculation of optical spectra we employ the sparse exciton Hamiltonian in a time-domain approach, which scales linearly with system size. We demonstrate the method for bulk silicon—one of the most frequently studied benchmark systems—and envision calculating optical properties of systems with much larger and more complex unit cells, which are presently computationally prohibitive.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"103 5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135584719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Contact Engineering for Organic CMOS Circuits","authors":"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","doi":"10.1088/2515-7639/ad097e","DOIUrl":"https://doi.org/10.1088/2515-7639/ad097e","url":null,"abstract":"Abstract 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 inverter, including gain, noise margin, and power dissipation, as well as the relevant challenges and the potential solutions. We then review state-of-the-art organic CMOS inverters and their fabrications. Finally, we focus on the approaches to optimize organic CMOS circuits from a specific point of view of the contact engineering, particularly for N-type OFETs.
","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"103 3‐5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135819087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ionic Hydrogels-based Triboelectric Nanogenerators for Self-Powered Human-Machine Interfaces","authors":"Siyang Liang, Chang Li, Mengjuan Niu, Pengcheng Zhu, Zhifeng Pan, Yanchao Mao","doi":"10.1088/2515-7639/ad05e7","DOIUrl":"https://doi.org/10.1088/2515-7639/ad05e7","url":null,"abstract":"Abstract 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 compromising the user experience in HMIs. The advent of triboelectric nanogenerators (TENGs) employing ionic hydrogels has introduced a sustainable energy solution for self-powered HMIs. These TENGs can harvest the electrical energy resulting from the migration of ions induced by mechanical motion, thereby offering a sustainable energy solution for applications in wearable HMIs. Hence, the development of ionic hydrogels-based TENGs holds immense potential for the advancement of self-powered HMIs. This review first introduces the latest achievements in the fabrication of ionic hydrogel-based TENGs using diverse materials, including synthetic polymers, natural polymers, and low-dimensional materials. Then different working principles and modes of the ionic hydrogel-based TENGs are elucidated. Subsequently, the applications of these TENGs in self-powered HMIs are discussed, such as robot control, medical applications, electronic device control, and other applications. Finally, the current status and future prospects of ionic hydrogel-based TENGs in self-powered HMIs are summarized. We hope that this review will provide inspiration for the future development of self-powered human–machine interfaces utilizing ionic hydrogels-based TENGs.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135874620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pipelines for Automating Compliance-based Elimination and Extension (PACE2): A Systematic Framework for High-throughput Biomolecular Materials Simulation Workflows","authors":"Srinivas C. Mushnoori, Ethan Zang, Akash Banerjee, Mason Hooten, Andre Merzky, Matteo Turilli, Shantenu Jha, Meenakshi Dutt","doi":"10.1088/2515-7639/ad08d0","DOIUrl":"https://doi.org/10.1088/2515-7639/ad08d0","url":null,"abstract":"Abstract 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 is yielding biomolecular materials with the desired properties or outcomes and how long each simulation will run. These difficulties can be overcome by rules-based management systems, including intermittent inspection, variable sampling, and premature termination or extension of the individual MD simulations. Automating such a management system can significantly improve runtime efficiency and reduce the burden of organizing large ensembles of MD simulations. To this end, a computational framework, the Pipelines for Automating Compliance-based Elimination and Extension (PACE2), is proposed for high-throughput ensemble biomolecular materials simulations. The PACE2 framework encompasses Candidate pipelines, where each pipeline includes temporally separated simulation and analysis tasks. When a MD simulation is completed, an analysis task is triggered, which evaluates the MD trajectory for compliance. Compliant simulations are extended to the next MD phase with a suitable sample rate to allow additional, detailed analysis. Non-compliant simulations are eliminated, and their computational resources are reallocated or released. The framework is designed to run on local desktop computers and high-performance computing resources. Preliminary scientific results enabled by the use of PACE2 framework are presented, which demonstrate its potential and validates its function. In the future, the framework will be extended to address generalized workflows and investigate composition-structure-property relations for other classes of materials.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"9 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135875403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Soft Matter Roadmap","authors":"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, Costantinos 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 C K Poon, James A. Richards, Itai Cohen, Eric M. Furst, Alshakim Nelson, Stephen L Craig, Rajesh Ganapathy, Ajay Kumar Sood, Francesco Sciortino, M Mungan, Srikanth Sastry, Colin Scheibner, Michel fruchart, Vincenzo Vitelli, S. A. Ridout, M. Stern, I. Tah, G. Zhang, Andrea J Liu, Chinedum O. Osuji, Yuan Xu, Heather M. Shewan, Jason Stokes, Matthias Merkel, Pierre Ronceray, Jean-François Rupprecht, Olga Matsarskaia, Frank Schreiber, Felix Roosen-Runge, Marie-Eve Aubin-Tam, Gijsje Koenderink, Rosa M. Espinosa-Marzal, Joaquin Yus, Jiheon Kwon","doi":"10.1088/2515-7639/ad06cc","DOIUrl":"https://doi.org/10.1088/2515-7639/ad06cc","url":null,"abstract":"Abstract Soft materials are usually defined as materials made of mesoscopic entities, often self-organized, 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 is the focus of many efforts. 

From a fundamental perspective, the possibility of manipulating soft material properties, by tuning interactions between constituents and by applying external perturbations, gives rise to an almost unlimited variety in physical properties. Together with the relative ease to observe and characterize them, this renders soft matter systems powerful model systems to investigate statistical physics phenomena, many of them relevant as well to hard condensed matter systems.
 
Understanding the emerging properties from mesoscale constituents still poses enormous challenges, which have stimulated a wealth of new experimental approaches, including the synthesis of new systems with, e.g., tailored self-assembling properties, or novel experimental techniques in imaging, scattering or rheology. Theoretical and numerical methods, and coarse-grained models, have become central to predict physical properties of soft materials, while computational approaches that also use machine learning tools are playing a progressively major role in many investigations.

This roadmap paper intends to give a broad overview of recent and possible future activities in the field of soft materials, with experts covering various developments and challenges in material synthesis and characterization, instrumental, simulation and theoretical methods as well as general concepts.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"8 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134973482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Roadmap on Multifunctional Materials for Drug Delivery","authors":"Benjamin Nottelet, Sytze Buwalda, Cornelus F. van Nostrum, Xiaofei Zhao, Chao Deng, Zhiyuan Zhong, Ernest Cheah, Darren Svirskis, Chloe Trayford, Sabine van Rijt, Ravi Kumr, Nermin Seda Kehr, CECILIA MENARD-MOYON, Natan Roberto de Barros, Ali Khademhosseini, Han-Jun Kim, Tina Vermonden","doi":"10.1088/2515-7639/ad05e8","DOIUrl":"https://doi.org/10.1088/2515-7639/ad05e8","url":null,"abstract":"Abstract This Roadmap on Drug Delivery aims to cover some of the most recent advances in the field of materials for drug delivery systems (DDS) and emphasizes the role that multifunctional materials play in advancing the performance of modern DDS in the context of the most current challenges presented.
The roadmap is comprised of multiple sections each of which introduce the status of the field, the current and future challenges faced, and a perspective of the required advances necessary for biomaterial science to tackle these challenges.
It is our hope that this collective vision will contribute to the initiation of conversation and collaboration across all areas of multifunctional materials for drug delivery systems. We stress that this article is not meant to be a fully comprehensive review but rather an up-to-date snapshot of different areas of research, with a minimal number of references that focus upon the very latest research developments.
","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"167 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135366518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The role of stacking on the electronic structure of MoSe₂ at small twist angles","authors":"Sumanti Patra, Priya Mahadevan","doi":"10.1088/2515-7639/ad01e0","DOIUrl":"https://doi.org/10.1088/2515-7639/ad01e0","url":null,"abstract":"Abstract 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$^{circ}$ 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 to one flat band above the highest occupied band at $Gamma$, one finds two flat bands emerging for small rotations from the AB end.
Examining the real space localization of the flat bands allows us to discuss the origin of the flat bands in terms of quantum well states and qualitatively understand the dependence of the number of flat bands found on the twist angle.","PeriodicalId":36054,"journal":{"name":"JPhys Materials","volume":"120 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136294220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}