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arXiv 2023年

作者： Zeng, Jinzhe Zhang, Duo Lu, Denghui Mo, Pinghui Li, Zeyu Chen, Yixiao Rynik, Marián Huang, Li'ang Li, Ziyao Shi, Shaochen Wang, Yingze Ye, Haotian Tuo, Ping Yang, Jiabin Ding, Ye Li, Yifan Tisi, Davide Zeng, Qiyu Bao, Han Xia, Yu Huang, Jiameng Muraoka, Koki Wang, Yibo Chang, Junhan Yuan, Fengbo Bore, Sigbjørn Løland Cai, Chun Lin, Yinnian Wang, Bo Xu, Jiayan Zhu, Jia-Xin Luo, Chenxing Zhang, Yuzhi Goodall, Rhys E.A. Liang, Wenshuo Singh, Anurag Kumar Yao, Sikai Zhang, Jingchao Wentzcovitch, Renata Han, Jiequn Liu, Jie Jia, Weile York, Darrin M. Weinan, E. Car, Roberto Zhang, Linfeng Wang, Han Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China College of Electrical and Information Engineering Hunan University Changsha China Yuanpei College Peking University Beijing100871 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States Department of Experimental Physics Comenius University Mlynská Dolina F2 Bratislava842 48 Slovakia Center for Quantum Information Institute for Interdisciplinary Information Sciences Tsinghua University Beijing100084 China Center for Data Science Peking University Beijing100871 China ByteDance Research Zhonghang Plaza No. 43 North 3rd Ring West Road Haidian District Beijing China College of Chemistry and Molecular Engineering Peking University Beijing100871 China Baidu Inc. Beijing China Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University Zhejiang Hangzhou China Westlake AI Therapeutics Lab Westlake Laboratory of Life Sciences and Biomedicine Zhejiang Hangzhou China Department of Chemistry Princeton University PrincetonNJ08544 United States SISSA Scuola Internazionale Superiore di Studi Avanzati Trieste34136 Italy Laboratory of Computational Science and Modeling Institute of Materials École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Department of Physics National University of Defense Technology Hunan Changsha410073 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing China University of Chinese Academy of Sciences Beijing China School of Electronics Engineerin

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, Deep Potential - Range Correction (DPRc), Deep Potential Long Range (DPLR), GPU support for customized operators, model compression, non-von Neumann molecular dynamics (NVNMD), and improved usability, including documentation, compiled binary packages, graphical user interfaces (GUI), and application programming interfaces (API). This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, the article benchmarks the accuracy and efficiency of different models and discusses ongoing developments. © 2023, CC BY-NC-ND.

关键词： Molecular dynamics

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Alternation of Magnetic Anisotropy Accompanied by Metal-Insulator Transition in Strained Ultrathin Manganite Heterostructures

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Physical Review Applied 2021年第6期15卷 064019-064019页

作者： Masaki Kobayashi Le Duc Anh Masahiro Suzuki Shingo Kaneta-Takada Yukiharu Takeda Shin-ichi Fujimori Goro Shibata Arata Tanaka Masaaki Tanaka Shinobu Ohya Atsushi Fujimori Department of Electrical Engineering and Information Systems The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan Center for Spintronics Research Network The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan Institute of Engineering Innovation Graduate School of Engineering The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan PRESTO JST 4-1-8 Honcho Kawaguchi Saitama 332-0012 Japan Department of Physics The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-0033 Japan Materials Sciences Research Center Japan Atomic Energy Agency Sayo-gun Hyogo 679-5148 Japan Department of Applied Physics Tokyo University of Science Katsushika Tokyo 125-8585 Japan Quantum Matter Program Graduate School of Advanced Science and Engineering Hiroshima University Higashi-Hiroshima 739-8530 Japan Department of Applied Physics Waseda University Okubo Shinjuku Tokyo 169-8555 Japan

A fundamental understanding of the interfacial magnetic properties in ferromagnetic heterostructures is essential for utilizing ferromagnetic materials for spintronic device applications. Here, we investigate the interfacial magnetic and electronic structures of epitaxial single-crystalline LaAlO3(LAO)/La0.6Sr0.4MnO3(LSMO)/Nb:SrTiO3(Nb:STO) heterostructures with varying LSMO layer thicknesses, in which the magnetic anisotropy strongly changes with the LSMO thickness due to the delicate balance between strains originating from both the Nb:STO and LAO layers, using x-ray magnetic circular dichroism and photoemission spectroscopy. We successfully detect the clear change of the magnetic behavior of the Mn ions concomitant with the thickness-dependent metal-insulator transition. Our results suggest that the double-exchange interaction induces ferromagnetism in the metallic LSMO film under tensile strain caused by the STO substrate, while the superexchange interaction determines the magnetic behavior in the insulating LSMO film under compressive strain originating from the top LAO layer. The change in strain, depending on LSMO layer thickness, is confirmed by scanning transmission electron microscopy. Based on those findings, the formation of a magnetic dead layer near the LAO/LSMO interface is attributed to competition between the superexchange interaction via Mn 3d3z2−r2 orbitals under compressive strain and the double-exchange interaction via the 3dx2−y2 orbitals. These findings provide key aspects of ferromagnetic oxide heterostructures for the development of spintronic device applications.

关键词： Electronic structure Ferromagnetism Magnetic anisotropy Metal-insulator transition Spintronics Transition metal oxides Photoemission spectroscopy X-ray magnetic circular dichroism

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Morfology, Microstrucuture and Electrocatalytical Properties of Sol-Gel Spin Coated Bi05na05ba(Tio3)2 Thin Films

SSRN

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SSRN 2022年

作者： Batista, Carlos Yago Pereira Romaguera–Barcelay, Yonny Matos, Robert Saraiva Pedraça, Aline dos Santos Amâncio, Moisés do Amaral Kourouma, Ansoumane Ruiz, Yurimiler Leyet Cotta, Eduardo Adriano Brito, Walter Ricardo Gandarilla, Ariamna María Dip do Nascimento, Marcus Valério Botelho Nobre, Francisco Xavier Ferreira, Nilson S. Salerno, Marco da Fonseca Filho, Henrique Duarte Technological Materials Processing Laboratory Federal University of Amazonas Amazonas Manaus69067-005 Brazil BioMark UC Department of Chemical Engineering Faculty of Sciences and Technology University of Coimbra Coimbra3030-790 Portugal Department of Physics Federal University of Amazonas Amazonas Manaus69067-005 Brazil Department of Physics Federal University of Amapá Amapá Macapá68902-280 Brazil Electrical Engineering postgraduate program Federal University of Amazonas Amazonas Manaus69067-005 Brazil Department of Chemistry Federal University of Amazonas Amazonas Manaus69067-005 Brazil Department of Pharmaceutical Sciences Gamal Abdel Nasser University of Conakry Guinea-bissau Federal Institute of Amazonas—Campus Coari Coari69460-000 Brazil Department of Physics Federal University of Sergipe São Cristovão Sergipe49100-000 Brazil Institute for Materials Science Max Bergmann Center of Biomaterials Technische Universität Dresden Dresden01069 Germany Laboratory of Nanomaterials Synthesis and Nanoscopy Department of Physics Federal University of Amazonas Amazonas Manaus69067-005 Brazil

Herein, we report, for the first time, the reduction reaction kinetics of ciprofloxacin organic molecules based on structural and micromorphological conditions of an electrocatalytic system of Bi05Na05Ba(TiO3)2 (BNT-BT) thin films. XRD analysis showed the coexistence of rhombohedral and tetragonal structures for the BNT-BT thin films annealed at 600, 650, and 700°C, showing that the first one had a greater number of surface defects, which was confirmed by Raman Spectroscopy. Analysis of the 3D micromorphological evaluation showed that an annealing temperature increase from 600 to 700 °C does not induce significant changes in the topographical profile. However, BNT-BT thin films annealed at 600 °C displayed more anisotropic surface microtexture, high spatial complexity, and low spatial frequencies. For the reactive surface of BNT-BT films, the electroanalytical assays showed that electrons from the conduction band are captured by oxygen adsorbed on the film surface, forming superoxide radicals that attack ciprofloxacin molecules, promoting their degradation. The best performance observed for the BNT-BT thin films annealed at 600 ºC is attributed to their unique structural and micromorphological properties compared to the films annealed with higher temperatures. Our results prove that the proposed thin film deposition process is a promising approach for developing new electrocatalytic devices. © 2022, The Authors. All rights reserved.

关键词： Sol-gels

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Sensing the local magnetic environment through optically active defects in a layered magnetic semiconductor

arXiv

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arXiv 2022年

作者： Klein, Julian Song, Zhigang Pingault, Benjamin Dirnberger, Florian Chi, Hang Curtis, Jonathan B. Dana, Rami Bushati, Rezlind Quan, Jiamin Dekanovsky, Lukas Sofer, Zdenek Alù, Andrea Menon, Vinod M. Moodera, Jagadeesh S. Lončar, Marko Narang, Prineha Ross, Frances M. Department of Materials Science and Engineering Massachusetts Institute of Technology CambridgeMA02139 United States John A. Paulson School of Engineering and Applied Sciences Harvard University CambridgeMA United States College of Letters and Sciences UCLA Los AngelesCA90095 United States QuTech Delft University of Technology Delft2600 GA Netherlands Department of Physics City College of New York New YorkNY10031 United States Francis Bitter Magnet Laboratory Plasma Science and Fusion Center Massachusetts Institute of Technology CambridgeMA02139 United States U.S. Army CCDC Army Research Laboratory AdelphiMD20783 United States Department of Physics The Graduate Center City University of New York New YorkNY10016 United States Department of Electrical and Computer Engineering The University of Texas at Austin AustinTX78712 United States Photonics Initiative CUNY Advanced Science Research Center New YorkNY10031 United States Department of Electrical Engineering City College of the City University of New York New YorkNY10031 United States Physics Program Graduate Center City University of New York New YorkNY10026 United States Department of Inorganic Chemistry University of Chemistry and Technology Prague Technická 5 Prague 6166 28 Czech Republic Department of Physics Massachusetts Institute of Technology CambridgeMA02139 United States

Atomic-level defects in van der Waals (vdW) materials are essential building blocks for quantum technologies and quantum sensing applications. The layered magnetic semiconductor CrSBr is an outstanding candidate for exploring optically active defects owing to a direct gap in addition to a rich magnetic phase diagram including a recently hypothesized defect-induced magnetic order at low temperature. Here, we show optically active defects in CrSBr that are probes of the local magnetic environment. We observe spectrally narrow (1 meV) defect emission in CrSBr that is correlated with both the bulk magnetic order and an additional low temperature defect-induced magnetic order. We elucidate the origin of this magnetic order in the context of local and non-local exchange coupling effects. Our work establishes vdW magnets like CrSBr as an exceptional platform to optically study defects that are correlated with the magnetic lattice. We anticipate that controlled defect creation allows for tailor-made complex magnetic textures and phases with the unique ingredient of direct optical access. Copyright © 2022, The Authors. All rights reserved.

关键词： Magnetic semiconductors

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A deep potential model with long-range electrostatic interactions

arXiv

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arXiv 2021年

作者： Zhang, Linfeng Wang, Han Muniz, Maria Carolina Panagiotopoulos, Athanassios Z. Car, Roberto Weinan, E. DP Technology Beijing China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Fenghao East Road 2 Beijing100094 China HEDPS CAPT College of Engineering Peking University Beijing100871 China Department of Chemical and Biological Engineering Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Program in Applied and Computational Mathematics Princeton Institute for the Science and Technology of Materials Princeton University PrincetonNJ08544 United States School of Mathematical Sciences Peking University Beijing100871 China AI for Science Institute Beijing China Department of Mathematics and Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Machine learning models for the potential energy of multi-atomic systems, such as the deep potential (DP) model, make possible molecular simulations with the accuracy of quantum mechanical density functional theory, at a cost only moderately higher than that of empirical force fields. However, the majority of these models lack explicit long-range interactions and fail to describe properties that derive from the Coulombic tail of the forces. To overcome this limitation we extend the DP model by approximating the long-range electrostatic interaction between ions (nuclei+core electrons) and valence electrons with that of distributions of spherical Gaussian charges located at ionic and electronic sites. The latter are rigorously defined in terms of the centers of the maximally localized Wannier distributions, whose dependence on the local atomic environment is modeled accurately by a deep neural network. In the deep potential long-range (DPLR) model, the electrostatic energy of the Gaussian charge system is added to short-range interactions that are represented as in the standard DP model. The resulting potential energy surface is smooth and possesses analytical forces and virial. Missing effects in the standard DP scheme are recovered, improving on accuracy and predictive power. By including long-range electrostatics, DPLR correctly extrapolates to large systems the potential energy surface learned from quantum mechanical calculations on smaller systems. We illustrate the approach with three examples, the potential energy profile of the water dimer, the free energy of interaction of a water molecule with a liquid water slab, and the phonon dispersion curves of the NaCl crystal. © 2021, CC BY.

关键词： Electrostatics

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Rationally designed chimeric solid-binding peptides for tailoring solid interfaces

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Medical Devices and Sensors 2020年第3期3卷

作者： Yucesoy, Deniz T. Khatayevich, Dimitry Tamerler, Candan Sarikaya, Mehmet GEMSEC Genetically Engineered Materials Science and Engineering Center University of Washington SeattleWA United States Department of Materials Science and Engineering University of Washington SeattleWA United States Department of Mechanical Engineering Bioengineering Program Institute for Bioengineering Research University of Kansas Lawrence LawrenceKS United States Department of Chemical Engineering University of Washington SeattleWA United States Department of Oral Health Sciences University of Washington SeattleWA United States Impossible Foods Redwood CityCA United States

Joining biology with materials science requires the ability to design, engineer and control biology/solid-state materials interfaces at the molecular level. The specific molecular interactions that take place among biomolecules, known as molecular recognition, enable all aspects of molecular processes in living systems prerequisite to the biological functions. Having the ability to establish specific biological interactions between the solid materials and biological constituents is essential for precise design of biologically viable soft interfaces that are molecularly tailored at solid surfaces. Solid-binding peptides offer excellent opportunities in surface biofunctionalization over the traditionally utilized chemical approaches which generally make use of covalent bonds for surface molecular attachments with limited flexibility. Solid-binding peptides are selected using directed evolution techniques using genotype to phenotype relationships and therefore referred also as genetically engineered peptides for inorganics (GEPI) and exclusively bind to solid materials using molecular recognition. Here, the peptide has weak interactions at multiple contact points that are established between the biomolecule and the solid lattice, and then folds into a conformation coherent with the underlying solid lattice through self-organization on the surface. Solid-binding peptides provide an unprecedented biological advantage as modular building blocks to couple biological and synthetic entities at the bio–solid interfaces. Taking full advantage of biology's versatility, they can easily be engineered to form chimeric molecules with inherent multifunctionality displaying biofunctional molecular entities, such as enzymes, co-factors, antimicrobial peptides, antibodies, nucleic acids and molecular probes that target biomarkers. This minireview provides an insight into the key principles of solid-binding peptides for advancing surfaces biofunctionalization by a selected set of exampl

关键词： Biomolecules

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Correction to: N‑doped carbon nanospheres as selective fluorescent probes for mercury detection in contaminated aqueous media: chemistry, fluorescence probing, cell line patterning, and liver tissue interaction

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Environmental science and pollution research international 2025年第20期32卷 2025 May 6页

作者： Soheil Sojdeh Ali Banitalebi Dehkordi Alireza Badiei Ali Zarrabi Pooyan Makvandi Milad Ashrafizadeh Mohammad Reza Saeb Eder C Lima Mohammad Rabiee Mohsen Asadnia Thomas J Webster Navid Rabiee School of Chemistry College of Science University of Tehran P.O. Box Tehran 14155‑6455 Iran. Department of Biomedical Engineering Faculty of Engineering and Natural Sciences Istinye University Istanbul Turkey. Centre for Materials Interfaces Istituto Italiano Di Tecnologia 56025 Pisa Italy. Sabanci University Orta Mahalle Üniversite Caddesi No. 27 Orhanlı Tuzla 34956 Istanbul Turkey. Department of Polymer Technology Gdańsk University of Technology G. Narutowicza 11/12 80‑233 Gdańsk Poland. Institute of Chemistry Federal University of Rio Grande Do Sul (UFRGS) Av. Bento Goncalves 9500 Postal Box 15003 Porto Alegre ZIP 91501‑970 Brazil. profederlima@***. Biomaterials Group Department of Biomedical Engineering Amirkabir University of Technology Tehran Iran. School of Engineering Macquarie University New South Wales Sydney 2109 Australia. School of Health Sciences and Biomedical Engineering Hebei University of Technology Tijian 300130 China. School of Engineering Saveetha University Chennai 602105 India. Interdisciplinary Laboratory for Advanced Materials (LIMAV) Materials Science and Engineering Graduate Program Federal University of Piaui Teresina 64049‑550 Brazil. Centre for Molecular Medicine and Innovative Therapeutics Murdoch University Perth 6150 Australia.

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Hybrid detectors for high-energy radiation based on borosilicate glass scintillator doped with Gd3+ covered by photosensitive TiO2 layer

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Radiation Physics and Chemistry 2025年 237卷

作者： Mangthong, P. Kohout, M. Ponseca, C.S. Hubička, Z. Kaewkhao, J. Kothan, S. Kirdsiri, K. Srisittipokakun, N. Olejníček, J. Cadatal-Raduban, M. Physics Program Faculty of Science and Technology Nakhon Pathom Rajabhat University 73000 Thailand Center of Excellence in Glass Technology and Materials Science (CEGM) Nakhon Pathom Rajabhat University Nakhon Pathom 73000 Thailand Department of Low Temperature Plasma Institute of Physics of the Czech Academy of Sciences Na Slovance 1999/2 182 21 Prague 8 Czech Republic Department of Mathematics and Natural Sciences Gulf University for Science and Technology Hawally Kuwait Department of Physics School of Science and Engineering Ateneo De Manila University Manila 1004 Philippines Center of Radiation Research and Medical Imaging Department of Radiologic Technology Faculty of Associated Medical Sciences Chiang Mai University Chiang Mai 50200 Thailand Unitec Institute of Technology 139 Carrington Road Mount Albert Auckland 1025 New Zealand Institute of Laser Engineering Osaka University 2-6 Yamadaoka Suita Osaka 565-0871 Japan

Vacuum ultraviolet (VUV) radiation, ranging from 100 to 200 nm (6.2–12.4 eV), is essential for applications in photonics, plasma diagnostics, and high-energy radiation monitoring. This study presents a hybrid VUV detector composed of a Gd2O3-doped borosilicate glass scintillator coated with a 250 nm titanium dioxide (TiO2) film. Borosilicate glass was selected for its high thermal stability, chemical durability, and rare-earth compatibility. The TiO2 a band gap near 3.2 eV layer, deposited via DC magnetron sputtering, acts as a photoconductive material that directly converts the 311 nm, approximately 3.99 eV photoluminescence emission from Gd³⁺ into an electrical signal, eliminating the need for a separate photodetector. Substrate heating during deposition and post-deposition annealing significantly improved the crystallinity of the TiO2 layer, enhancing photosensitivity without degrading the luminescence of the underlying scintillator. The selected film thickness ensures good photon absorption and surface uniformity while avoiding charge carrier recombination losses. Furthermore, The system demonstrates successful detection of 172 nm VUV radiation via direct luminescence to current conversion. This hybrid device provides a compact, integrated for high-energy radiation detection, with potential applications in dosimetry and future VUV or x-ray optoelectronic systems.

关键词： DC magnetron Gd2O3 Glass Luminescence Scintillator TiO2

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Surgical mesh coatings for infection control and temperature sensing: An in-vitro investigation

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OpenNano 2021年 5卷

作者： Houshyar, Shadi Mirzadeh, Nedaossadat Pillai, Mamatha Muraleedharan Saha, Tanushree Khalid, Asma Bhattacharyya, Amitava Dekiwadia, Chaitali Zizhou, Rumbidzai Cryle, Max J. Payne, Jennifer A.E. Bhargava, Suresh Fox, Kate Tran, Phong A. College of Science Engineering and Health School of Engineering RMIT University Melbourne 3001 Australia The Center for Advanced Materials and Industrial Chemistry College of Science Engineering and Health RMIT University GPO Box 2476V Melbourne 3001 VIC Australia Tissue Engineering Laboratory PSG Institute of Advanced Studies Coimbatore 641004 India Department of Textile Engineering Dhaka University of Engineering and Technology Gazipur-1707 Gazipur Bangladesh College of Science Engineering and Health School of Applied Sciences RMIT University Melbourne 3000 Australia Functional Innovative and Smart Textiles PSG Institute of Advanced Studies Coimbatore 641004 India RMIT Microscopy and Microanalysis Facility College of Science Engineering and Health RMIT University Melbourne 3000 Australia School of Fashion and Textiles RMIT University Brunswick Victoria 3056 Australia Department of Biochemistry and Molecular Biology Infection and Immunity Program The Monash Biomedicine Discovery Institute Monash University EMBL Clayton 3800 VIC Australia Centre for Biomedical Technologies 2 George Street Queensland University of Technology (QUT) Brisbane 4000 QLD Australia Interface Science and Materials Engineering Group School of Mechanical Medical and Process Engineering QUT 2 George Street Brisbane 4000 QLD Australia

Polypropylene (PP) remains the primary material for hernia meshes due to its biocompatibility, physical strength and ease of fabrication. However, PP meshes are still subject to complications such as mesh movement and bacterial infection that ultimately lead to mesh failure. This study describes a two-step functionalization of a PP mesh through dopamine-mediated chloro(triphenylphosphine)gold(I)/nanodiamond coatings. The gold compound provided an intrinsic surface with antimicrobial activity to the coatings, whilst the overall improvement in hydrophilicity and roughness allows for efficient adsorption of antibiotics with an aim for eradicating bacteria in the surrounding tissue. The presence of a gold compound on the surface of the mesh enhanced its contrast property, which may provide a surgical application to determine the ease of monitoring the PP mesh location after implantation inside the body to detect possible tears. Photostable negatively charged nitrogen-vacancy centres within the nanodiamonds provides an exciting possibility to optically assess locally elevated temperatures often associated with infection or excessive inflammation. The biocompatibility, antibiotic loading and associated antimicrobial properties of the coated mesh were investigated to show the potential of this new coating for future applications in hernia surgical procedures. © 2021

关键词： Chloro(triphenylphosphine)gold(I) Hernia mesh Nanodiamond Polypropylene Temperature sensing

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3D Crumpled Ultrathin 1T MoS2 for Inkjet Printing of Mg-Ion Asymmetric Micro-supercapacitors (vol 14, pg 7308, 2020)

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ACS NANO 2020年第10期14卷 14247-14247页

作者： Shao, Yuanlong Fu, Jui-Han Cao, Zhen Song, Kepeng Sun, Ruofan Wan, Yi Shamim, Atif Cavallo, Luigi Han, Yu Kaner, Richard B. Tung, Vincent C. College of Energy Soochow Institute for Energy and Materials Innovations (SIEMIS) Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu Province Soochow University Suzhou 215006 People’s Republic of China Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Electrical Engineering Program Computer Electrical and Mathematical Sciences (CEMS) Division KAUST Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Department of Chemistry and Biochemistry Department of Materials Science and Engineering California NanoSystems Institute (CNSI) University of California Los Angeles Los Angeles California 90095 United States Physical Science and Engineering (PSE) Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia

Metallic molybdenum disulfide (MoS2), e.g., 1T phase, is touted as a highly promising material for energy storage that already displays a great capacitive performance. However, due to its tendency to aggregate and restack, it remains a formidable challenge to assemble a high-performance electrode without scrambling the intrinsic structure. Here, we report an electrohydrodynamic-assisted fabrication of 3D crumpled MoS2 (c-MoS2) and its formation of an additive-free stable ink for scalable inkjet printing. The 3D c-MoS2 powders exhibited a high concentration of metallic 1T phase and an ultrathin structure. The aggregation-resistant properties of the 3D crumpled particles endow the electrodes with open space for electrolyte ion transport. Importantly, we experimentally discovered and theoretically validated that 3D 1T c-MoS2 enables an extended electrochemical stable working potential range and enhanced capacitive performance in a bivalent magnesium-ion aqueous electrolyte. With reduced graphene oxide (rGO) as the positive electrode material, we inkjet-printed 96 rigid asymmetric micro-supercapacitors (AMSCs) on a 4-in. Si/SiO2 wafer and 100 flexible AMSCs on photo paper. These AMSCs exhibited a wide stable working voltage of 1.75 V and excellent capacitance retention of 96% over 20 000 cycles for a single device. Our work highlights the promise of 3D layered materials as well-dispersed functional materials for large-scale printed flexible energy storage devices.

关键词： supercapacitors MoS2 printing technique Mg-ion microdevice

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