Title: Lead-free (Ag,K)NbO 3 materials for high-performance explosive energy conversion
Explosive energy conversion materials with extremely rapid response times have broad and growing applications in energy, medical, defense, and mining areas. Research into the underlying mechanisms and the search for new candidate materials in this field are so limited that environment-unfriendly Pb(Zr,Ti)O 3 still dominates after half a century. Here, we report the discovery of a previously undiscovered, lead-free (Ag 0.935 K 0.065 )NbO 3 material, which possesses a record-high energy storage density of 5.401 J/g, enabling a pulse current ~ 22 A within 1.8 microseconds. It also exhibits excellent temperature stability up to 150°C. Various in situ experimental and theoretical investigations reveal the mechanism underlying this explosive energy conversion can be attributed to a pressure-induced octahedral tilt change from a − a − c + to a − a − c − / a − a − c + , in accordance with an irreversible pressure-driven ferroelectric-antiferroelectric phase transition. This work provides a high performance alternative to Pb(Zr,Ti)O 3 and also guidance for the further development of new materials and devices for explosive energy conversion. more »« less
Sharma, Vidushi; Datta, Dibakar
(, Physical Chemistry Chemical Physics)
null
(Ed.)
Current advancements in battery technologies require electrodes to combine high-performance active materials such as Silicon (Si) with two-dimensional materials such as transition metal carbides (MXenes) for prolonged cycle stability and enhanced electrochemical performance. More so, it is the interface between these materials, which is the nexus for their applicatory success. Herein, the interface strength variations between amorphous Si and Ti 3 C 2 T x MXenes are determined as the MXene surface functional groups ( T x ) are changed using first principles calculations. Si is interfaced with three Ti 3 C 2 MXene substrates having surface −OH, −OH and −O mixed, and −F functional groups. Density functional theory (DFT) results reveal that completely hydroxylated Ti 3 C 2 has the highest interface strength of 0.6 J m −2 with amorphous Si. This interface strength value drops as the proportion of surface −O and −F groups increases. Additional analysis of electron redistribution and charge separation across the interface is provided for a complete understanding of underlying physico-chemical factors affecting the surface chemistry and resultant interface strength values. The presented comprehensive analysis of the interface aims to develop sophisticated MXene based electrodes by their targeted surface engineering.
Abstract Relaxor ferroelectrics (RFEs) are being actively investigated for energy‐storage applications due to their large electric‐field‐induced polarization with slim hysteresis and fast energy charging–discharging capability. Here, a novel nanograin engineering approach based upon high kinetic energy deposition is reported, for mechanically inducing the RFE behavior in a normal ferroelectric Pb(Zr0.52Ti0.48)O3(PZT), which results in simultaneous enhancement in the dielectric breakdown strength (EDBS) and polarization. Mechanically transformed relaxor thick films with 4 µm thickness exhibit an exceptionalEDBSof 540 MV m−1and reduced hysteresis with large unsaturated polarization (103.6 µC cm−2), resulting in a record high energy‐storage density of 124.1 J cm−3and a power density of 64.5 MW cm−3. This fundamental advancement is correlated with the generalized nanostructure design that comprises nanocrystalline phases embedded within the amorphous matrix. Microstructure‐tailored ferroelectric behavior overcomes the limitations imposed by traditional compositional design methods and provides a feasible pathway for realization of high‐performance energy‐storage materials.
Baraskar, Bharat G.; Kolekar, Yesappa D.; Thombare, Balu. R.; James, Ajit. R.; Kambale, Rahul C.; Ramana, C. V.
(, Small)
Abstract Next‐generation electronics and energy technologies can now be developed as a result of the design, discovery, and development of novel, environmental friendly lead (Pb)‐free ferroelectric materials with improved characteristics and performance. However, there have only been a few reports of such complex materials’ design with multi‐phase interfacial chemistry, which can facilitate enhanced properties and performance. In this context, herein, novel lead‐free piezoelectric materials (1‐x)Ba0.95Ca0.05Ti0.95Zr0.05O3‐(x)Ba0.95Ca0.05Ti0.95Sn0.05O3, are reported, which are represented as (1‐x)BCZT‐(x)BCST, with demonstrated excellent properties and energy harvesting performance. The (1‐x)BCZT‐(x)BCST materials are synthesized by high‐temperature solid‐state ceramic reaction method by varyingxin the full range (x= 0.00–1.00). In‐depth exploration research is performed on the structural, dielectric, ferroelectric, and electro‐mechanical properties of (1‐x)BCZT‐(x)BCST ceramics. The formation of perovskite structure for all ceramics without the presence of any impurity phases is confirmed by X‐ray diffraction (XRD) analyses, which also reveals that the Ca2+, Zr4+, and Sn4+are well dispersed within the BaTiO3lattice. For all (1‐x)BCZT‐(x)BCST ceramics, thorough investigation of phase formation and phase‐stability using XRD, Rietveld refinement, Raman spectroscopy, high‐resolution transmission electron microscopy (HRTEM), and temperature‐dependent dielectric measurements provide conclusive evidence for the coexistence of orthorhombic + tetragonal (Amm2+P4mm) phases at room temperature. The steady transition ofAmm2crystal symmetry toP4mmcrystal symmetry with increasingxcontent is also demonstrated by Rietveld refinement data and related analyses. The phase transition temperatures, rhombohedral‐orthorhombic (TR‐O), orthorhombic‐ tetragonal (TO‐T), and tetragonal‐cubic (TC), gradually shift toward lower temperature with increasingxcontent. For (1‐x)BCZT‐(x)BCST ceramics, significantly improved dielectric and ferroelectric properties are observed, including relatively high dielectric constantεr≈ 1900–3300 (near room temperature),εr≈ 8800–12 900 (near Curie temperature), dielectric loss, tanδ≈ 0.01–0.02, remanent polarizationPr≈ 9.4–14 µC cm−2, coercive electric fieldEc≈ 2.5–3.6 kV cm−1. Further, high electric field‐induced strainS≈ 0.12–0.175%, piezoelectric charge coefficientd33≈ 296–360 pC N−1, converse piezoelectric coefficient ≈ 240–340 pm V−1, planar electromechanical coupling coefficientkp≈ 0.34–0.45, and electrostrictive coefficient (Q33)avg≈ 0.026–0.038 m4C−2are attained. Output performance with respect to mechanical energy demonstrates that the (0.6)BCZT‐(0.4)BCST composition (x= 0.4) displays better efficiency for generating electrical energy and, thus, the synthesized lead‐free piezoelectric (1‐x)BCZT‐(x)BCST samples are suitable for energy harvesting applications. The results and analyses point to the outcome that the (1‐x)BCZT‐(x)BCST ceramics as a potentially strong contender within the family of Pb‐free piezoelectric materials for future electronics and energy harvesting device technologies.
Abstract Silk nanofibers (SNFs) from abundant sources are low‐cost and environmentally friendly. Combined with other functional materials, SNFs can help create bioelectronics with excellent biocompatibility without environmental concerns. However, it is still challenging to construct an SNF‐based composite with high conductivity, flexibility, and mechanical strength for all SNF‐based electronics. Herein, this work reports the design and fabrication of Ti3C2Tx‐silver@silk nanofibers (Ti3C2Tx‐Ag@SNF) composites with multi‐dimensional heterogeneous conductive networks using combined in situ growth and vacuum filtration methods. The ultrahigh electrical conductivity of Ti3C2Tx‐Ag@SNF composites (142959 S m−1) provides the kirigami‐patterned soft heaters with a rapid heating rate of 87 °C s−1. The multi‐dimensional heterogeneous network further allows the creation of electromagnetic interference shielding devices with an exceptionally high specific shielding effectiveness of 10,088 dB cm−1. Besides working as a triboelectric layer to harvest the mechanical energy and recognize the hand gesture, the Ti3C2Tx‐Ag@SNF composites can also be combined with an ionic layer to result in a capacitive pressure sensor with a high sensitivity of 410 kPa−1in a large range due to electronic‐double layer effect. The applications of the Ti3C2Tx‐Ag@SNF composites in recognizing human gestures and human‐machine interfaces to wirelessly control a trolley demonstrate the future development of all SNF‐based electronics.
Muratov, Dmitry S; Bianco, Ettore; Karpenkov, Dmitry; Castellero, Alberto; Lipatov, Alexey; Maurino, Valter; Sinitskii, Alexander
(, Journal of Materials Chemistry C)
We synthesized a series of Zr1−xTixS3solid solutions (0 ≤x≤ 1)viaa direct reaction between Zr–Ti alloys and sulfur vapor at 600 °C. These solid solutions have a tunable bandgap in the 1–2 eV range that linearly increases with the Zr content.
@article{osti_10288189,
place = {Country unknown/Code not available},
title = {Lead-free (Ag,K)NbO 3 materials for high-performance explosive energy conversion},
url = {https://par.nsf.gov/biblio/10288189},
DOI = {10.1126/sciadv.aba0367},
abstractNote = {Explosive energy conversion materials with extremely rapid response times have broad and growing applications in energy, medical, defense, and mining areas. Research into the underlying mechanisms and the search for new candidate materials in this field are so limited that environment-unfriendly Pb(Zr,Ti)O 3 still dominates after half a century. Here, we report the discovery of a previously undiscovered, lead-free (Ag 0.935 K 0.065 )NbO 3 material, which possesses a record-high energy storage density of 5.401 J/g, enabling a pulse current ~ 22 A within 1.8 microseconds. It also exhibits excellent temperature stability up to 150°C. Various in situ experimental and theoretical investigations reveal the mechanism underlying this explosive energy conversion can be attributed to a pressure-induced octahedral tilt change from a − a − c + to a − a − c − / a − a − c + , in accordance with an irreversible pressure-driven ferroelectric-antiferroelectric phase transition. This work provides a high performance alternative to Pb(Zr,Ti)O 3 and also guidance for the further development of new materials and devices for explosive energy conversion.},
journal = {Science Advances},
volume = {6},
number = {21},
author = {Liu, Zhen and Lu, Teng and Xue, Fei and Nie, Hengchang and Withers, Ray and Studer, Andrew and Kremer, Felipe and Narayanan, Narendirakumar and Dong, Xianlin and Yu, Dehong and Chen, Longqing and Liu, Yun and Wang, Genshui},
editor = {null}
}
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