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1.
Adv Mater ; : e2402239, 2024 Mar 22.
Article in English | MEDLINE | ID: mdl-38519452

ABSTRACT

In this work, a distinctive "metal-ion organic hybrid interface" (MOHI) between polyimide (PI) and calcium niobate (CNO) nanosheets is designed. The metal ions in the MOHI can achieve atomic-level matching not only with the inorganic CNO, but also with the PI chains, forming uniform and strong chemical bonds. These results are demonstrated by experiment and theory calculations. Significantly, the MOHI reduces the free volume and introduces deep traps across the filler-matrix interfacial area, thus suppressing the electric field distortion in PI-based composite dielectrics. Consequently, PI-based dielectric containing the MOHI exhibits excellent energy storage performance. The energy storage densities (Ue) of the composite dielectric reach 9.42 J cm-3 and 4.75 J cm-3 with energy storage efficiency (η) of 90% at 25 °C and 150 °C respectively, which are 2.6 and 11.6 times higher than those of pure PI. This study provides new ideas for polymer-based composite dielectrics in high energy storage.

2.
J Chem Inf Model ; 63(24): 7669-7675, 2023 Dec 25.
Article in English | MEDLINE | ID: mdl-38061777

ABSTRACT

Generating new molecules with the desired physical or chemical properties is the key challenge of computational material design. Deep learning techniques are being actively applied in the field of data-driven material informatics and provide a promising way to accelerate the discovery of innovative materials. In this work, we utilize an invertible graph generative model to generate hypothetical promising high-temperature polymer dielectrics. A molecular graph generative model based on the invertible normalizing flow is trained on a data set containing 250k polymer molecular graphs (mostly generated by an RNN-based generative model) to learn the invertible transformations between latent distributions and molecular graph structures. When generating molecular graphs, a sample vector is drawn from the latent space, and then an adjacency tensor and node attribute matrix are generated through two invertible flows in two steps and assembled into a molecular graph. The model has the merits of exact likelihood training and an efficient one-shot generation process. The learned latent space is used to generate polymers with a high glass-transition temperature (Tg) and a wide band gap (Eg) for the application of high-temperature energy storage film capacitors. This work contributes to the efficient design of high-temperature polymer dielectrics by using deep generative models.


Subject(s)
Polymers , Temperature , Models, Molecular , Probability
3.
Nanomicro Lett ; 15(1): 154, 2023 Jun 08.
Article in English | MEDLINE | ID: mdl-37291440

ABSTRACT

The further electrification of various fields in production and daily life makes it a topic worthy of exploration to improve the performance of capacitors for a long time, including thin-film capacitors. The discharge energy density of thin-film capacitors that serves as one of the important types directly depends on electric field strength and the dielectric constant of the insulation material. However, it has long been a great challenge to improve the breakdown strength and dielectric constant simultaneously. Considering that boron nitride nanosheets (BNNS) possess superior insulation and thermal conductivity owing to wide band gap and 2-dimensional structure, a bilayer polymer film is prepared via coating BNNS by solution casting on surface of polyethylene terephthalate (PET) films. By revealing the bandgap and insulating behavior with UV absorption spectrum, leakage current, and finite element calculation, it is manifested that nanocoating contributes to enhance the bandgap of polymer films, thereby suppressing the charge injection by redirecting their transport from electrodes. Worthy to note that an ultrahigh breakdown field strength (~ 736 MV m-1), an excellent discharge energy density (~ 8.77 J cm-3) and a prominent charge-discharge efficiency (~ 96.51%) are achieved concurrently, which is ascribed to the contribution of BNNS ultrathin layer. In addition, the modified PET films also have superior comprehensive performance at high temperatures (~ 120 °C). The materials and methods here selected are easily accessible and facile, which are suitable for large-scale roll-to-roll process production, and are of certain significance to explore the methods about film modification suitable for commercial promotion.

4.
Adv Mater ; 35(2): e2207829, 2023 Jan.
Article in English | MEDLINE | ID: mdl-36349800

ABSTRACT

Flexible dielectric and electronic materials with high dielectric constant (k) and low loss are constantly pursued. Encapsulation of conductive fillers with insulating shells represents a promising approach, and has attracted substantial research efforts. However, progress is greatly impeded due to the lack of a fundamental understanding of the polarization mechanism. In this work, a series of core-shell polymer composites is studied, and the correlation between macroscopic dielectric properties (across entire composites) and microscopic polarization (around single fillers) is investigated. It is revealed that the polarization in polymer conductor composites is determined by electron transport across multiple neighboring conductive fillers-a domain-type polarization. The formation of a core-shell filler structure affects the dielectric properties of tpolymer composites by essentially modifying the filler-cluster size. Based on this understanding, a novel percolative composite is prepared with higher-than-normal filler concentration and optimized shell's electrical resistivity. The developed composite shows both high-k due to enlarged cluster size and low loss due to restrained charge transport simultaneously, which cannot be achieved in traditional percolative composites or via simple core-shell filler design. The revealed polarization mechanism and the optimization strategy for core-shell fillers provide critical guidance and a new paradigm, for developing advanced polymer dielectrics with promising property sets.

5.
ACS Appl Mater Interfaces ; 15(1): 1105-1114, 2023 Jan 11.
Article in English | MEDLINE | ID: mdl-36584331

ABSTRACT

The great development potential of polymer dielectric capacitors in harsh environments urgently requires enhancing capacitive performance at high temperatures. However, the exponentially increased conduction loss at high temperature and high field results in a drastic drop in energy density and charge-discharge efficiency. Here, a bilayer-structured polyimide (PI) composite film containing a wide-band gap inorganic layer as a charge blocking layer is designed. The inorganic layer improves the charge trapping ability and regulates the charge mobility at the electrode/dielectric interface. The charge injection mechanism in the interface-optimized PI/boron nitride nanosheet (BNNS) composite films is investigated by finite element simulation, and the effect of the BNNS layer on high temperature conduction is further understood. An appropriate thickness of the charge blocking layer establishes an effective energy barrier. Therefore, the composite films exhibit significantly suppressed conduction loss and excellent capacitive performance at a high temperature. A high energy density of 4.37 J cm-3 with efficiency of 92% is obtained at 200 °C and 500 MV m-1, which is superior to reported high-temperature dielectric polymers and their composite films. This work provides a promising approach to improve the energy storage performance of polymer materials at high temperatures.

6.
Adv Mater ; 35(3): e2203623, 2023 Jan.
Article in English | MEDLINE | ID: mdl-35924412

ABSTRACT

Polymer-based dielectrics have received intensive interest from academic community in the field of high-power energy storage owing to their superior flexibility and fast charge-discharge ability. Recently, how to suppress the loss of polymer-based dielectrics has been increasingly recognized as a critical point to attain a high charge-discharge efficiency in the film capacitors. Some achievements are made in analyzing the source of loss and suppressing loss via Edison's trial and error method. In this review, the significance of suppressing loss in polymer-based dielectrics is firstly emphasized. Then, different sources of loss are discussed carefully and an in-depth analysis of the related measurements is presented. Next, recent research results in suppressing loss are summarized and discussed in detail according to different strategies. Finally, the challenges and opportunities in the loss suppression research for the rational design of high-efficiency polymer-based dielectrics are proposed.

7.
Chem Rev ; 122(3): 3820-3878, 2022 Feb 09.
Article in English | MEDLINE | ID: mdl-34939420

ABSTRACT

With the development of advanced electronic devices and electric power systems, polymer-based dielectric film capacitors with high energy storage capability have become particularly important. Compared with polymer nanocomposites with widespread attention, all-organic polymers are fundamental and have been proven to be more effective choices in the process of scalable, continuous, and large-scale industrial production, leading to many dielectric and energy storage applications. In the past decade, efforts have intensified in this field with great progress in newly discovered dielectric polymers, fundamental production technologies, and extension toward emerging computational strategies. This review summarizes the recent progress in the field of energy storage based on conventional as well as heat-resistant all-organic polymer materials with the focus on strategies to enhance the dielectric properties and energy storage performances. The key parameters of all-organic polymers, such as dielectric constant, dielectric loss, breakdown strength, energy density, and charge-discharge efficiency, have been thoroughly studied. In addition, the applications of computer-aided calculation including density functional theory, machine learning, and materials genome in rational design and performance prediction of polymer dielectrics are reviewed in detail. Based on a comprehensive understanding of recent developments, guidelines and prospects for the future development of all-organic polymer materials with dielectric and energy storage applications are proposed.

8.
Front Med (Lausanne) ; 8: 748915, 2021.
Article in English | MEDLINE | ID: mdl-34790679

ABSTRACT

Background: Patients with chronic hepatitis B (CHB) with severe acute exacerbation (SAE) are at a progression stage of acute-on-chronic liver failure (ACLF) but uniform models for predicting ACLF occurrence are lacking. We aimed to present a risk prediction model to early identify the patients at a high risk of ACLF and predict the survival of the patient. Methods: We selected the best variable combination using a novel recursive feature elimination algorithm to develop and validate a classification regression model and also an online application on a cloud server from the training cohort with a total of 342 patients with CHB with SAE and two external cohorts with a sample size of 96 and 65 patients, respectively. Findings: An excellent prediction model called the PATA model including four predictors, prothrombin time (PT), age, total bilirubin (Tbil), and alanine aminotransferase (ALT) could achieve an area under the receiver operating characteristic curve (AUC) of 0.959 (95% CI 0.941-0.977) in the development set, and AUC of 0.932 (95% CI 0.876-0.987) and 0.905 (95% CI 0.826-0.984) in the two external validation cohorts, respectively. The calibration curve for risk prediction probability of ACLF showed optimal agreement between prediction by PATA model and actual observation. After predictive stratification into different risk groups, the C-index of predictive 90-days mortality was 0.720 (0.675-0.765) for the PATA model, 0.549 (0.506-0.592) for the end-stage liver disease score model, and 0.648 (0.581-0.715) for Child-Turcotte-Pugh scoring system. Interpretation: The highlypredictive risk model and easy-to-use online application can accurately predict the risk of ACLF with a poor prognosis. They may facilitate risk communication and guidetherapeutic options.

9.
Adv Mater ; 33(34): e2008267, 2021 Aug.
Article in English | MEDLINE | ID: mdl-34240474

ABSTRACT

Recently, sensors that can imitate human skin have received extensive attention. Capacitive sensors have a simple structure, low loss, no temperature drift, and other excellent properties, and can be applied in the fields of robotics, human-machine interactions, medical care, and health monitoring. Polymer matrices are commonly employed in flexible capacitive sensors because of their high flexibility. However, their volume is almost unchanged when pressure is applied, and they are inherently viscoelastic. These shortcomings severely lead to high hysteresis and limit the improvement in sensitivity. Therefore, considerable efforts have been applied to improve the sensing performance by designing different microstructures of materials. Herein, two types of sensors based on the applied forces are discussed, including pressure sensors and strain sensors. Currently, five types of microstructures are commonly used in pressure sensors, while four are used in strain sensors. The advantages, disadvantages, and practical values of the different structures are systematically elaborated. Finally, future perspectives of microstructures for capacitive sensors are discussed, with the aim of providing a guide for designing advanced flexible and stretchable capacitive sensors via ingenious human-made microstructures.


Subject(s)
Biosensing Techniques/instrumentation , Wearable Electronic Devices , Animals , Electric Capacitance , Electric Impedance , Equipment Design , Humans , Monitoring, Ambulatory/instrumentation , Polymers , Pressure , Robotics , Skin , Temperature , Textiles , User-Computer Interface
10.
Nat Commun ; 12(1): 4517, 2021 Jul 26.
Article in English | MEDLINE | ID: mdl-34312391

ABSTRACT

Dielectric elastomer actuators (DEAs) with large electrically-actuated strain can build light-weight and flexible non-magnetic motors. However, dielectric elastomers commonly used in the field of soft actuation suffer from high stiffness, low strength, and high driving field, severely limiting the DEA's actuating performance. Here we design a new polyacrylate dielectric elastomer with optimized crosslinking network by rationally employing the difunctional macromolecular crosslinking agent. The proposed elastomer simultaneously possesses desirable modulus (~0.073 MPa), high toughness (elongation ~2400%), low mechanical loss (tan δm = 0.21@1 Hz, 20 °C), and satisfactory dielectric properties ([Formula: see text] = 5.75, tan δe = 0.0019 @1 kHz), and accordingly, large actuation strain (118% @ 70 MV m-1), high energy density (0.24 MJ m-3 @ 70 MV m-1), and rapid response (bandwidth above 100 Hz). Compared with VHBTM 4910, the non-magnetic motor made of our elastomer presents 15 times higher rotation speed. These findings offer a strategy to fabricate high-performance dielectric elastomers for soft actuators.

11.
Macromol Rapid Commun ; 42(12): e2100116, 2021 Jun.
Article in English | MEDLINE | ID: mdl-33938056

ABSTRACT

Polymer-based film capacitors with high breakdown strength and excellent flexibility are crucial in the field of advanced electronic devices and electric power systems. Although massive works are carried to enhance the energy storage performances, it is still a great challenge to improve the energy density of polymer composites under the premise of large-scale industrial production. Herein, a general strategy is proposed to improve the intrinsic breakdown strength and energy storage performances by blending core-shell structured methyl methacrylate-butadiene-styrene (MBS) rubber particles into a polymer matrix. Good compatibility and uniform dispersion state of MBS particles are observed in the matrix. Polarizing microscopy images show that blended films exhibit clear reduction of crystalline grains with the addition of MBS particles. Accordingly, an increased breakdown strength of 515 MV m-1 and discharged energy density of 12.33 J cm-3 are observed in poly(vinylidene fluoride-co-hexafluoropropylene)-based composite films. Through comprehensive characterizations, it is believed that the superior energy storage performance of composite films is attributed to decreased crystalline grains, improved mechanical properties, and restriction on carrier motion. These results provide a novel design of dielectric polymers for high breakdown strength and discharged energy density applications.


Subject(s)
Electricity , Polymers
12.
Rev Sci Instrum ; 89(3): 035004, 2018 Mar.
Article in English | MEDLINE | ID: mdl-29604776

ABSTRACT

Force measurements using wind tunnel balance are necessary for determining a variety of aerodynamic performance parameters, while the harsh environment in hypersonic flows requires that the measurement instrument should be reliable and robust, in against strong electromagnetic interference, high vacuum, or metal (oxide) dusts. In this paper, we demonstrated a three-component internal balance for hypersonic aerodynamic force measurements, using novel optical micromachined Fabry-Perot interferometric (FPI) strain gauges as sensing elements. The FPI gauges were fabricated using Micro-Opto-Electro-Mechanical Systems (MOEMS) surface and bulk fabrication techniques. High-reflectivity coatings are used to form a high-finesse Fabry-Perot cavity, which benefits a high resolution. Antireflective and passivation coatings are used to reduce unwanted interferences. The FPI strain gauge based balance has been calibrated and evaluated in a Mach 5 hypersonic flow. The results are compared with the traditional technique using the foil resistive strain gauge balance, indicating that the proposed balance based on the MOEMS FPI strain gauge is reliable and robust and is potentially suitable for the hypersonic wind tunnel harsh environment.

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