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Browsing by Author "Li, Q"

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Aluminum borohydride complex with ethylenediamine: crystal structure and dehydrogenation mechanism studies
(American Chemical Society, 2016-04-20) Gu, QF; Wang, ZY; Filinchuk, Y; Kimpton, JA; Brand, HEA; Li, Q; Yu, XB
We report the structure of an aluminum borohydride ethylenediamine complex, Al(EDA)3·3BH4·EDA. This structure was successfully determined using X-ray powder diffraction and was supported by first-principles calculations. The complex can be described as a mononuclear complex exhibiting three-dimensional supramolecular structure, built from units of Al[C2N2H8]3, BH4, and ethylenediamine (EDA) molecules. Examination of the chemical bonding indicates that this arrangement is stabilized via dihydrogen bonding between the NH2 ligand in EDA and the surrounding BH4. The partial ionic bonding between the Al and N atoms in EDA forms a five-member ring (5MR), an Al[NCCN] unit. The calculated H2 removal energies confirm that it is energetically favorable to remove the loosely bonded EDA and H atoms with N–H···H–B dihydrogen bonds upon heating. Our results suggest that the NH2 terminal ligand in the EDA molecule combines with a H atom in the BH4 group to release H2 at elevated temperature, and our results confirm that the experimental result Al(EDA)3·3BH4·EDA can release 8.4 wt % hydrogen above 149 °C with detectable EDA molecules. This work provides insights into the dehydrogenation behavior of Al(EDA)3·3BH4·EDA and has implications for future development of promising high-performance metal borohydride ethylenediamine complexes. © 2016 American Chemical Society
Antiferromagnetic topological insulating state in Tb0.02Bi1.08Sb0.9Te2S single crystals
(American Physical Society (APS), 2023-03-13) Guo, L; Zhao, WY; Li, Q; Xu, M; Chen, L; Bake, A; Vu, THY; He, YH; Fang, Y; Cortie, DL; Mo, SK; Edmonds, MT; Wang, XL; Dong, S; Karel, J; Zheng, RK
Topological insulators are emerging materials with insulating bulk and symmetry protected nontrivial surface states. One of the most fascinating transport behaviors in a topological insulator is the quantized anomalous Hall insulator, which has been observed in magnetic-topological-insulator-based devices. In this work, we report a successful doping of rare earth element Tb into Bi1.08Sb0.9Te2S topological insulator single crystals, in which the Tb moments are antiferromagnetically ordered below ∼10 K. Benefiting from the in-bulk-gap Fermi level, transport behavior dominant by the topological surface states is observed below ∼150 K. At low temperatures, strong Shubnikov-de Haas oscillations are observed, which exhibit 2D-like behavior. The topological insulator with long range magnetic ordering in rare earth doped Bi1.08Sb0.9Te2S single crystal provides an ideal platform for quantum transport studies and potential applications. ©2023 American Physical Society.
Collective nonlinear electric polarization via defect-driven local symmetry breaking
(Royal Society of Chemistry, 2019-05-17) Dong, W; Cortie, DL; Lu, T; Sun, QB; Narayanan, N; Hu, WB; Jacob, L; Li, Q; Yu, DH; Chen, H; Chen, AP; Wei, XY; Wang, G; Humphrey, MG; Frankcombe, TJ; Liu, Y
In this work, we report the defect-mediated, abnormal non-linear polarization behavior observed in centrosymmetric rutile TiO2 where less than 1 at% of sterically mismatched Mg2+ ions are introduced to create ferroelectric-like polarization hysteresis loops. It is found that the Image ID:c9mh00516a-t2.gif defect cluster produces a dipole moment exceeding 6 Debye, with a rotatable component. Such a polarization is further enhanced by the displacement of neighboring Ti4+ ions. The coupling between such defect-driven symmetry-breaking regions generates a collective nonlinear electrical polarization state that persists to high temperatures. More importantly, an observation of abnormal bias shift of polarization hysteresis suggests an antiparallel alignment of certain dipoles frozen relative to the external poling electric field, which is associated with oxygen vacancy hopping. This result challenges the long-standing notion of parallel alignment of dipoles with the external electric field in ferroelectrics. This work also reveals an unexpected new form of non-linear dielectric polarization (non-ferroelectricity) in solid-state materials. © Royal Society of Chemistry 2024
Colossal zero-field-cooled exchange bias via tuning compensated ferrimagnetic in kagome metals
(American Chemical Society, 2024-07-22) Zhou, H; Cao, Y; Khmelevskyi, S; Zhang, Q; Hu, S; Avdeev, M; Wang, CW; Zhou, R; Yu, C; Chen, X; Li, Q; Miao, J; Li, Q; Lin, K; Xing, XR
Exchange bias (EB) is a crucial property with widespread applications but particularly occurs by complex interfacial magnetic interactions after field cooling. To date, intrinsic zero-field-cooled EB (ZEB) has only emerged in a few bulk frustrated systems and their magnitudes remain small yet. Here, enabled by high temperature synthesis, we uncover a colossal ZEB field of 4.95 kOe via tuning compensated ferrimagnetism in a family of kagome metals, which is almost twice the magnitude of known materials. Atomic-scale structure, spin dynamics, and magnetic theory revealed that these compensated ferrimagnets originate from significant antiferromagnetic exchange interactions embedded in the holmium-iron ferrimagnetic matrix due to supersaturated preferential manganese doping. A random antiferromagnetic order of manganese sublattice sandwiched between ferromagnetic iron kagome bilayers accounts for such unconventional pinning. The outcome of the present study outlines disorder-induced giant bulk ZEB and coercivity in layered frustrated systems. © 2024 American Chemical Society.
A correlated electron diffraction, in situ neutron diffraction and dielectric properties investigation of poled (1-x)Bi0.5Na0.5TiO3-xBaTiO3 ceramics
(American Institute of Physics, 2011-10-15) Wang, J; Liu, Y; Withers, RL; Studer, AJ; Li, Q; Norén, L; Guo, YP
A correlated electron diffraction, temperature-dependent in situ neutron diffraction, and temperature-dependent dielectric properties investigation of poled (1-x)Bi(0.5)Na(0.5)TiO(3)-xBaTiO(3) (BNTBT100x) (x = 0.04, 0.07, and 0.12) samples has been carried out. The results show that the depolarization temperature, T(d), of the rhombohedral BNTBT 4 sample is associated with the disappearance of G +/- 1/2 [111]*(p) satellite reflections and a(-)a(-)a(-) octahedral tilting while that of the BNTBT 12 sample is associated with a metrically tetragonal to metrically cubic or pseudo-cubic symmetry. In the case of the poled BNTBT 7 sample in the MPB region, the dielectric properties show a quite distinct two stage transition from a room temperature clearly metrically tetragonal phase again to a metrically cubic or pseudo-cubic symmetry above 150 degrees C. There is no apparent change in its average structure in vicinity of T(d) in BNTBT 7. Electron diffraction shows the presence of considerable octahedral tilt twin disorder in all three samples. (C) 2011 American Institute of Physics.
A customized strategy to design intercalation-type Li-free cathodes for all-solid-state batteries
(Oxford University Press, 2023-01-10) Wang, D; Yu, J; Yin, X; Shao, S; Li, Q; Wang, YC; Avdeev, M; Chen, LQ; Shi, SQ
Pairing Li-free transition-metal-based cathodes (MX) with Li-metal anodes is an emerging trend to overcome the energy-density limitation of current rechargeable Li-ion technology. However, the development of practical Li-free MX cathodes is plagued by the existing notion of low voltage due to the long-term overlooked voltage-tuning/phase-stability competition. Here, we propose a p-type alloying strategy involving three voltage/phase-evolution stages, of which each of the varying trends are quantitated by two improved ligand-field descriptors to balance the above contradiction. Following this, an intercalation-type 2H-V1.75Cr0.25S4 cathode tuned from layered MX2 family is successfully designed, which possesses an energy density of 554.3 Wh kg−1 at the electrode level accompanied by interfacial compatibility with sulfide solid-state electrolyte. The proposal of this class of materials is expected to break free from scarce or high-cost transition-metal (e.g. Co and Ni) reliance in current commercial cathodes. Our experiments further confirm the voltage and energy-density gains of 2H-V1.75Cr0.25S4. This strategy is not limited to specific Li-free cathodes and offers a solution to achieve high voltage and phase stability simultaneously. TheAuthor(s) 2023. Published byOxfordUniversity Press on behalf of China Science Publishing&Media Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License
Hydrogen storage performance and phase transformations in as-cast and extruded Mg-Ni-Gd-Y-Zn-Cu alloys
(Elsevier, 2023-04-18) Yao, H; Zeng, G; Tan, XF; Gu, QF; Nogita, K; Guo, J; Li, Q
Thermal-mechanical processing of magnesium-based materials is an effective method to tailor the hydrogen storage performance. In this study, Mg-Ni-Gd-Y-Zn-Cu alloys were prepared by Direct Chill (DC) casting, with and without extrusion process. The influences of microstructure evolution, introduced by DC casting and thermal-mechanical processing, on the hydrogen storage performance of Mg-Ni-Gd-Y-Zn-Cu alloys were comprehensively explored, using analytical electron microscopy and in-situ synchrotron powder X-ray diffraction. The result shows that the extruded alloy yields higher hydrogen absorption capacity and faster hydrogen ab/desorption kinetics. As subjected to extrusion processing, the α-Mg grains in the microstructure were significantly refined and a large number of 14H type long-period stacking ordered (LPSO) phases appeared on the α-Mg matrix. After activation, there were more nanosized Gd hydride/Mg2Ni intermetallics and finer chips. These modifications synergistically enhance the hydrogen storage properties. The findings have implications for the alloy design and manufacturing of magnesium-based hydrogen storage materials with the advantages of rapid mass production and anti-oxidation. © 2023 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
In-situ neutron diffraction study of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals under uniaxial mechanical stress
(American Institute of Physics, 2012-04-26) Li, Q; Liu, Y; Luzin, V; Studer, AJ; Wan, YH; Li, ZR; Norén, L; Withers, RL; Xu, Z
In this paper, we report the phase transition behavior of ternary relaxor ferroelectric single crystals of 0.25Pb(In1/2Nb1/2)O-3-0.44Pb(Mg1/3Nb2/3)O-3-0.31PbTiO(3) subject to a uniaxial mechanical stress up to 400 MPa. The resultant in situ neutron diffraction data are interpreted in terms of the polarization rotation theory and provide direct structural evidence for the stress-induced polarization rotation pathway deduced from studies of macroscopic physical properties under stress. It is suggested that an intermediate, metastable orthorhombic phase is induced above a critical pressure of similar to 75 MPa. This critical stress level appears to be unaffected by sample poling although the ground states (at zero stress) for the poled and unpoled crystals are different. The critical stress level, however, does decrease with increasing temperature. The elastic behavior of the intermediate phases is also studied based on a calculation of the associated lattice strains. (C) 2012 American Institute of Physics.
Large magnetic gap in a designer ferromagnet–topological insulator–ferromagnet heterostructure
(Wiley, 2022-03-08) Li, Q; Trang, CX; Wu, WK; Hwang, JW; Cortie, DL; Medhekar, N; Mo, SK; Yang, SA; Edmonds, MT
Combining magnetism and nontrivial band topology gives rise to quantum anomalous Hall (QAH) insulators and exotic quantum phases such as the QAH effect where current flows without dissipation along quantized edge states. Inducing magnetic order in topological insulators via proximity to a magnetic material offers a promising pathway toward achieving the QAH effect at a high temperature for lossless transport applications. One promising architecture involves a sandwich structure comprising two single-septuple layers (1SL) of MnBi2Te4 (a 2D ferromagnetic insulator) with ultrathin few quintuple layer (QL) Bi2Te3 in the middle, and it is predicted to yield a robust QAH insulator phase with a large bandgap greater than 50 meV. Here, the growth of a 1SL MnBi2Te4/4QL Bi2Te3/1SL MnBi2Te4 heterostructure via molecular beam epitaxy is demonstrated and the electronic structure probed using angle-resolved photoelectron spectroscopy. Strong hexagonally warped massive Dirac fermions and a bandgap of 75 ± 15 meV are observed. The magnetic origin of the gap is confirmed by the observation of the exchange-Rashba effect, as well as the vanishing bandgap above the Curie temperature, in agreement with density functional theory calculations. These findings provide insights into magnetic proximity effects in topological insulators and reveal a promising platform for realizing the QAH effect at elevated temperatures. © 2022 The Authors
Neutron diffraction study of unusual magnetic behaviors in the Ho2Fe11Al6 intermetallic compound
(American Chemical Society, 2019-09-30) Cao, Y; Lin, K; Liu, ZN; Hu, JY; Wang, CW; Avdeev, M; Li, Q; Deng, JX; Chen, J; Zhang, HJ; Xing, XR
Knowledge of structure–property relationships is fundamental but significant in the exploitation of magnetic materials. Here we report that the high Al substitution for Fe transformed the crystal structure from a hexagonal Ho2Fe17 compound to a rhombohedral Ho2Fe11Al6 compound. Intriguingly, the latter shows unusual evolution of magnetization around 86 and 220 K compared with the former. Integrated investigations of the detailed structure analysis and magnetic performance on the Ho2Fe11Al6 compound demonstrate that the Ho2Fe11Al6 compound possesses a stable rhombohedral structure (R3̅m) from 5 to 430 K with preferred occupation of Al atoms and ferrimagnetic structure in which the magnetic moments of Ho and Fe lie antiparallel in the basal plane below the Curie temperature. The results of the temperature dependence of moments reveal that the disparate rates of change of the moments for Ho and Fe sublattices give rise to unusual evolution of magnetization around 86 and 220 K and then turn to paramagnetic above 280 K. This work provides clear structure and magnetization information on the Ho2Fe11Al6 compound, which may be beneficial to guiding the future development of magnetic materials. © 2019 American Chemical Society
Pressure-modulated magnetism and negative thermal expansion in the Ho2Fe17 intermetallic compound
(American Chemical Society, 2023-05-25) Cao, YL; Zhou, H; Khmelevskyi, S; Lin, K; Avdeev, M; Wang, CW; Wang, B; Hu, F; Kato,; Hattori, T; Abe, J; Ohara, K; Kawaguchi, S; Li, Q; Fukuda, M; Nishikubo, T; Lee, K; Koike, T; Liu, Q; Miao, J; Deng, JX; Shen, B; Azuma, M; Xing, X
Hydrostatic and chemical pressure are efficient stimuli to alter the crystal structure and are commonly used for tuning electronic and magnetic properties in materials science. However, chemical pressure is difficult to quantify and a clear correspondence between these two types of pressure is still lacking. Here, we study intermetallic candidates for a permanent magnet with a negative thermal expansion (NTE). Based on in situ synchrotron X-ray diffraction, negative chemical pressure is revealed in Ho2Fe17 on Al doping and quantitatively evaluated by using temperature and pressure dependence of unit cell volume. A combination of magnetization and neutron diffraction measurements also allowed one to compare the effect of chemical pressure on magnetic ordering with that of hydrostatic pressure. Intriguingly, pressure can be used to control suppression and enhancement of NTE. Electronic structure calculations indicate that pressure affected the top of the majority band with respect to the Fermi level (EF), which has implications for the magnetic stability, which in turn plays a critical role in modulating magnetism and NTE. This work presents a good example of understanding the effect of pressure and utilizing it to control properties of functional materials. © 2024 American Chemical Society
Quantified zero thermal expansion in magnetic R2Fe17-based intermetallic compounds (R = rare earth)
(American Chemical Society, 2023-06-13) Cao, YL; Matsukawa, T; Gibbs, A; Avdeev, M; Wang, CW; Wu, H; Huang, QZ; Ohoyama, K; Ishigaki, T; Zhou, H; Li, Q; Miao, J; Lin, K; Xing, XR
Zero thermal expansion (ZTE) has been a fascinating task for the past few decades due to its great scientific and practical merits. To realize ZTE, negative thermal expansion is typically employed by chemical substitutions on tuning structure features, which often relies on trial and error. Here, we report on exploring quantification of thermal expansion with magnetic ordering in an intermetallic class of R2Fe17 (R = rare earth), which can accurately determine the ZTE composition using a documented database. It demonstrates that the magnetic ordering of the Fe-sublattice contributes to the thermal expansion anomaly through simultaneous examinations of magnetization and neutron powder diffraction. Alternative elements can be manipulated on a Fe-sublattice to control both the total ordered magnetic moments of the Fe-sublattice and Curie temperature, which tailors the temperature variation of the magnetic contributions on thermal expansion. The current work might point to a future for ZTE high throughput searches, anticipated to benefit applications. © 2023 American Chemical Society
Structural transitions in [001]/[111]-oriented 0.26Pb(In1/2Nb1/2)O3-0.46Pb(Mg1/3Nb2/3)O3-0.28PbTiO3 single crystals probed via neutron diffraction and electrical characterization
(AIP Publishing LLC, 2013-04-19) Li, Q; Liu, Y; Wang, J; Studer, AJ; Withers, RL; Li, ZR; Xu, Z
We report changes in the metric symmetry of unpoled and electrically poled single crystals of 0.26Pb(In1/2 Nb 1/2)O3-0.46Pb(Mg1/3 Nb 2/3)O3-0.28PbTiO3, as revealed by neutron diffraction in conjunction with electrical measurements. The unpoled crystals show relaxor characteristics and an average rhombohedral symmetry that persists from ambient temperature up to the Curie temperature of ∼165 °C. Poling along a [111] direction enhances the rhombohedral distortion away from cubic metric symmetry but appears not to induce any monoclinic phases. By contrast, the poled [001]-oriented crystal has orthorhombic (or monoclinic MC ) metric symmetry at 25 °C. An intermediate transition to a metrically tetragonal phase around 120 °C is confirmed for both poled crystals. © 2013, AIP Publishing LLC.
Symmetry-mode analysis for intuitive observation of structure–property relationships in the lead-free antiferroelectric (1− x) AgNbO3–xLiTaO3
(International Union of Crystallography, 2019-06-21) Lu, T; Tian, Y; Studer, AJ; Narayanan, N; Li, Q; Withers, RL; Jin, L; Mendez-Gonzalez, Y; Pelaiz-Barranco, A; Yu, DH; McIntyre, GJ; Xu, Z; Wei, X; Yan, H; Liu, Y
Functional materials are of critical importance to electronic and smart devices. A deep understanding of the structure–property relationship is essential for designing new materials. In this work, instead of utilizing conventional atomic coordinates, a symmetry-mode approach is successfully used to conduct structure refinement of the neutron powder diffraction data of (1−x)AgNbO3–xLiTaO3 (0 ≤ x ≤ 0.09) ceramics. This provides rich structural information that not only clarifies the controversial symmetry assigned to pure AgNbO3 but also explains well the detailed structural evolution of (1−x)AgNbO3–xLiTaO3 (0 ≤ x ≤ 0.09) ceramics, and builds a comprehensive and straightforward relationship between structural distortion and electrical properties. It is concluded that there are four relatively large-amplitude major modes that dominate the distorted Pmc21 structure of pure AgNbO3, namely a Λ3 antiferroelectric mode, a T4+ a−a−c0 octahedral tilting mode, an H2 a0a0c+/a0a0c− octahedral tilting mode and a Γ4− ferroelectric mode. The H2 and Λ3 modes become progressively inactive with increasing x and their destabilization is the driving force behind the composition-driven phase transition between the Pmc21 and R3c phases. This structural variation is consistent with the trend observed in the measured temperature-dependent dielectric properties and polarization–electric field (P-E) hysteresis loops. The mode crystallography applied in this study provides a strategy for optimizing related properties by tuning the amplitudes of the corresponding modes in these novel AgNbO3-based (anti)ferroelectric materials. © International Union of Crystallography - Open Access
Temperature dependence of electrical properties and crystal structure of 0.29Pb(In1/2Nb1/2)O-3-0.44Pb(Mg1/3Nb2/3)O-3-0.27PbTiO(3) single crystals
(Hindawi Publishing Corporation, 2013-10-07) Li, Q; Liu, Y; Studer, AJ; Li, ZR; Withers, RL; Xu, Z
We characterized the temperature dependent ( ∼ 25–200°C) electromechanical properties and crystal structure of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals using in situ electrical measurement and neutron diffraction techniques. The results show that the poled crystal experiences an addition phase transition around 120°C whereas such a transition is absent in the unpoled crystal. It is also found that the polar order persists above the maximum dielectric permittivity temperature at which the crystal shows a well-defined antiferroelectric behavior. The changes in the electrical properties and underlying crystal structure are discussed in the paper. © 2013, Qian Li et al. This is an open access article distributed under the Creative Commons Attribution Licence
Temperature-dependent electrical, elastic and magnetic properties of sol-gel synthesized Bi(0.9)Ln(0.1)FeO(3) (Ln = Nd, Sm)
(IOP Publishing Ltd, 2012-03-28) Schiemer, J; Withers, RL; Carpenter, MA; Liu, Y; Wang, JL; Norén, L; Li, Q; Hutchison, WD
This report details correlated electrical, mechanical and magnetic behaviour in BiFeO3 ceramics doped with 10% Ln (Ln = Sm, Nd) ions on the Bi, or perovskite A, site and synthesized by a sol-gel method. The ceramics exhibit bulk piezoelectric and ferroelectric properties and clear ferroelectric domain patterns through piezoresponse force microscopy. Resonant ultrasound spectroscopy, dielectric spectroscopy and magnetometry studies show correlated magnetoelectromechanical behaviour and the existence of weak ferromagnetism for both compositions. An anomaly with simultaneous mechanical and magnetic signatures is discovered in both materials near room temperature, while previously reported transitions and anomalies are found to exhibit electro- and/or magnetomechanical coupling. Magnetism is significantly enhanced in the Sm doped sample, which is a promising multiferroic material. © 2012, IOP Publishing LTD.
Thorium(IV) and uranium(IV) complexes with cucurbit[5]uril
(American Chemical Society, 2018-06-27) Zhang, YJ; Bhadbhade, MM; Avdeev, M; Price, JR; Karatchevtseva, I; Li, Q; Tao, Z; Wei, G
Tetravalent thorium and uranium complexes with cucurbit[5]uril (Q[5]) were investigated with eight new complexes being synthesized and structurally characterized. [Th(Q[5])(OH)(H2O)2]6·18NO3·nH2O (1) has a hexagonal nanowheel structure with each of the six Th4+ ions being cap-coordinated by a Q[5] and monodentate-coordinated to the nearby Q[5]. [Th(Q[5])(HCOO)(H2O)4][Th(NO3)5(H2O)2]2[Th(NO3)3(HCOO)(H2O)2]0.5·NO3·nH2O (2) has a heteroleptic mononuclear structure with a Th4+ ion cap-coordinated on one side of the Q[5] portal and monodentate-coordinated to a formate anion inside the Q[5] cavity. [KTh1.5(Q[5])Cl(NO3)3][Th(NO3)5(H2O)2]·2NO3·2.5H2O (3) has a heterometallic structure with both Th4+ and K+ ions each occupying one side of the two Q[5] portals forming a capsule. [CsTh(Q[5])Cl(NO3)2(H2O)3]·2NO3·nH2O (4) has a heterometallic 1D polymeric structure with both Th4+ and Cs+ ions each occupying one side of the two Q[5] portals, forming monomers which are linked together by sharing two water molecules and one carbonyl oxygen atom between Th4+ and Cs+ ions. [Th(Q[5])Cl(H2O)][CdCl3][CdCl4]·0.5HCl·4H2O (5), [Th(Q[5])Cl(H2O)][Ru2OCl9(H2O)]·0.5HCl·9.5H2O (6), [Th(Q[5])Cl(H2O)][IrCl6]1.5·3H2O (7), and [U(Q[5])Cl(H2O)][ZnCl3(H2O)][(ZnCl4)]·8H2O (8) have similar 1D polymeric structures with Th4+/U4+ ions cap-coordinated on one side of a Q[5] and bidentate coordinated to the nearby Q[5]. The transition metal chlorides act as anions for charge compensation as well as structure inducers via cation–anion interactions forming various anion patterns around the 1D polymers. Actinide contraction has been observed in the early actinide series. © 2018 American Chemical Society
Ultrawide temperature range super-invar behavior of R2(Fe, Co)17 materials (R = rare earth)
(American Physical Society, 2021-07-30) Cao, YL; Lin, KM; Khmelevskyi, S; Avdeev, M; Taddei, KM; Zhang, Q; Huang, QZ; Li, Q; Kato, K; Tang, CC; Gibbs, A; Wang, CW; Deng, JX; Chen, J; Zhang, HJ; Xing, XR
Super Invar (SIV), i.e., zero thermal expansion of metallic materials underpinned by magnetic ordering, is of great practical merit for a wide range of high precision engineering. However, the relatively narrow temperature window of SIV in most materials restricts its potential applications in many critical fields. Here, we demonstrate the controlled design of thermal expansion in a family of R2(Fe,Co)17 materials (R=rare Earth). We find that adjusting the Fe-Co content tunes the thermal expansion behavior and its optimization leads to a record-wide SIV with good cyclic stability from 3–461 K, almost twice the range of currently known SIV. In situ neutron diffraction, Mössbauer spectra and first-principles calculations reveal the 3d bonding state transition of the Fe-sublattice favors extra lattice stress upon magnetic ordering. On the other hand, Co content induces a dramatic enhancement of the internal molecular field, which can be manipulated to achieve “ultrawide” SIV over broad temperature, composition and magnetic field windows. These findings pave the way for exploiting thermal-expansion-control engineering and related functional materials. © 2021 American Physical Society
Zn-doped TiO2 electrodes in dye-sensitized solar cells for enhanced photocurrent
(Royal Society of Chemistry, 2012-07-20) Huang, FZ; Li, Q; Thorogood, GJ; Cheng, YB; Caruso, RA
Porous nanocrystalline Zn/TiO2 materials were synthesized employing agarose gel as a template, achieving a maximum Zn-doping concentration of around 2 at.%. Low Zn-doping concentrations (e.g. <1 at.%) improved the photocurrent of the dye-sensitized solar cell when these materials were applied as the working electrode, as n-type doping favors electron transportation. Compared to the efficiency of the undoped sample, 6.7%, the 0.5 at.% sample showed a much higher efficiency of 7.6%. Further doping decreases the performance of the device as it introduces deficiencies that act as electron–hole recombination centers. © 2012 The Royal Society of Chemistry

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