Browsing by Author "Zhang, Y"

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    COARSEMAP: synthesis of observations and models for coarse-mode aerosols
    (American Geophysical Union, 2017-12-11) Wiedinmyer, C; Lihavainen, H; Mahowald, NM; Alastuey, A; Albani, S; Artaxo, P; Bergametti, G; Batterman, S; Brahney, J; Duce, RA; Feng, Y; Buck, C; Ginoux, PA; Chen, Y; Guieu, C; Cohen, DD; Hand, JL; Harrison, RM; Herut, B; Ito, A; Losno, R; Gomez, D; Kanakidou, M; Landing, WM; Laurent, B; Mihalopoulos, N; Mackey, K; Maenhaut, W; Heuglin, C; Milando, C; Miller, RL; Myriokefaitakis, S; Neff, JC; Pandolfi, M; Paytan, A; Pérez, CGP; Prank, M; Prospero, JM; Tamburo, E; Varrica, D; Wong, MY; Zhang, Y
    Coarse mode aerosols influence Earth’s climate and biogeochemistry by interacting with long-wave radiation, promoting ice nucleation, and contributing important elements to biogeochemical cycles during deposition. Yet coarse mode aerosols have received less emphasis in the scientific literature. Here we present first efforts to globally synthesize available mass concentration, composition and optical depth data and modeling for the coarse mode aerosols (<10 µm) in a new project called “COARSEMAP” (http://www.geo.cornell.edu/eas/PeoplePlaces/Faculty/mahowald/COARSEMAP/). We seek more collaborators who have observational data, especially including elemental or composition data, and/or who are interested in detailed modeling of the coarse mode. The goal will be publications synthesizing data with models, as well as providing synthesized results to the wider community.
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    Dopant distribution in co-free high-energy layered cathode materials
    (American Chemical Society, 2019-11-21) Mu, L; Zhang, R; Kan, WH; Zhang, Y; Li, LX; Kuai, C; Zydlewski, B; Rahman, MM; Sun, CJ; Sainio, S; Avdeev, M; Nordlund, D; Xin, HL; Lin, F
    The practical implementation of Co-free, LiNiO2-derived cathodes has been prohibited by their poor cycle life and thermal stability, resulting from the structural instability, phase transformations, reactive surfaces, and chemomechanical breakdown. With the hierarchical distribution of Mg/Ti dual dopants in LiNiO2, we report a Co-free layered oxide that exhibits enhanced bulk and surface stability. Ti shows a gradient distribution and is enriched at the surface, whereas Mg distributes homogeneously throughout the primary particles. The resulting Mg/Ti codoped LiNiO2 delivers a material-level specific energy of ∼780 W h/kg at C/10 with 96% retention after 50 cycles. The specific energy reaches ∼680 W h/kg at 1C with 77% retention after 300 cycles. Furthermore, the Mg/Ti dual dopants improve the rate capability, thermal stability, and self-discharge resistance of LiNiO2. Our synchrotron X-ray, electron, and electrochemical diagnostics reveal that the Mg/Ti dual dopants mitigate phase transformations, reduce nickel dissolution, and stabilize the cathode–electrolyte interface, thus leading to the favorable battery performance in lithium metal and graphite cells. The present study suggests that engineering the dopant distribution in cathodes may provide an effective path toward lower cost, safer, and higher energy density Co-free lithium batteries. © 2019 American Chemical Society
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    Electric-field-induced phase transitions in co-doped Pb(Zr1−xTix)O3 at the morphotropic phase boundary
    (Taylor and Francis Online, 2014-02-28) Franzbach, DJ; Seo, YH; Studer, AJ; Zhang, Y; Glaum, J; Daniels, JE; Bencan, A; Malic, B; Webber, KG
    The strain- and polarization-electric field behavior was characterized at room temperature for Pb0.98Ba0.01(Zr1−xTix)0.98Nb0.02O3, 0.40  x  0.60. The investigated compositions were located in the vicinity of the morphotropic phase boundary, giving insight into the influence of crystal structure on the hysteretic ferroelectric behavior. The remanent strain of particular compositions is shown to be larger than theoretically allowed by ferroelectric switching alone, indicating the presence of additional remanent strain mechanisms. A phenomenological free energy analysis was used to simulate the effect of an applied electric field on the initial equilibrium phase. It is shown that electric-field-induced phase transitions in polycrystalline ferroelectrics can account for the experimental observations. The experimental and simulation results are contrasted to neutron diffraction measurements performed on representative compositions in the virgin and remanent states. © 2014, National Institute for Materials Science.
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    Investigating the cytotoxicity of platinum(II) complexes incorporating bidentate pyridyl-1,2,3-triazole “click” ligands
    (Elsevier B.V., 2016-12-01) Pages, BJ; Sakoff, J; Gilbert, J; Zhang, Y; Li, F; Preston, D; Crowley, JD; Aldrich-Wright, JR
    Six platinum(II) complexes of the type [Pt(PL)(AL)]2 +, where PL is a bidentate pyridyl-1,2,3-triazole “click” ligand and AL is the R,R or S,S isomer of 1.2-diaminocyclohexane, have been synthesised and characterised by several methods including elemental microanalysis, proton NMR spectroscopy and X-ray crystallography. The in vitro cytotoxicity of each complex was assessed in eleven cell lines, revealing moderate to good activity for complexes incorporating 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. © 2016 Elsevier B.V.
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    Modeling the global emission, transport and deposition of trace elements associated with mineral dust.
    (Copernicus Publications on behalf of the European Geosciences Union, 2015-10-12) Zhang, Y; Mahowald, N; Scanza, RA; Journet, E; Desboeufs, K; Albani, S; Kok, JF; Zhuang, G; Chen, Y; Cohen, DD; Paytan, A; Patey, MD; Achterberg, EP; Engelbrecht, JP; Fomba, KW
    Trace element deposition from desert dust has important impacts on ocean primary productivity, the quantification of which could be useful in determining the magnitude and sign of the biogeochemical feedback on radiative forcing. However, the impact of elemental deposition to remote ocean regions is not well understood and is not currently included in global climate models. In this study, emission inventories for eight elements primarily of soil origin, Mg, P, Ca, Mn, Fe, K, Al, and Si are determined based on a global mineral data set and a soil data set. The resulting elemental fractions are used to drive the desert dust model in the Community Earth System Model (CESM) in order to simulate the elemental concentrations of atmospheric dust. Spatial variability of mineral dust elemental fractions is evident on a global scale, particularly for Ca. Simulations of global variations in the Ca = Al ratio, which typically range from around 0.1 to 5.0 in soils, are consistent with observations, suggesting that this ratio is a good signature for dust source regions. The simulated variable fractions of chemical elements are sufficiently different; estimates of deposition should include elemental variations, especially for Ca, Al and Fe. The model results have been valuated with observations of elemental aerosol concentrations from desert regions and dust events in non-dust regions, providing sights into uncertainties in the modeling approach. The ratios between modeled and observed elemental fractions range from 0.7 to 1.6, except for Mg and Mn (3.4 and 3.5, respectively). Using the soil database improves the correspondence of the spatial heterogeneity in the modeling of several elements (Ca, Al and Fe) compared to observations. Total and soluble dust element fluxes to different ocean basins and ice sheet regions have been estimated, based on the model results. The annual inputs of soluble Mg, P, Ca, Mn, Fe and K associated with dust using the mineral data set are 0.30 Tg, 16.89 Gg, 1.32 Tg, 22.84 Gg, 0.068 Tg, and 0.15 Tg to global oceans and ice sheets. © Author(s) 2015
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    An ordered P2/P3 composite layered oxide cathode with long cycle life in sodium-ion batteries
    (American Chemical Society, 2019-10-16) Rahman, MM; Mao, J; Kan, WH; Sun, CJ; Li, LX; Zhang, Y; Avdeev, M; Du, XW; Lin, F
    Developing stable cathode materials represents a crucial step toward long-life sodium-ion batteries. P2-type layered oxides are important as cathodes for their reversibility, but their long-term performance in full cells remains a key challenge. Herein, we report Na0.75Co0.125Cu0.125Fe0.125Ni0.125Mn0.5O2 with an intergrowth of ordered P2 and P3 phases, studied by neutron diffraction and Rietveld refinement. A stable electrochemical performance is achieved in Na half cells with 100% capacity retention at a rate of C/10 after 100 cycles (initial capacity of 90 mAh/g), 96% capacity retention at a rate of 1 C after 500 cycles (initial capacity of 70 mAh/g), and 85% capacity retention at a rate of 5 C after 1000 cycles (initial capacity of 55 mAh/g). Stable full cell performance is achieved with 84.2% capacity retention after 1000 cycles at a rate of 1 C. Synchrotron X-ray diffraction, spectroscopy, and imaging are applied to elucidate the relationship between chemical/structural evolution and battery performance. A reversible local and global structural evolution is observed during initial cycles. Meanwhile, the challenges with enabling prolonged cycling (beyond 1000 cycles) may be associated with Fe dissolution and formation of a copper oxide phase. This study implies that cathodes with complex chemical and structural formations may stabilize electrochemical performance and highlights the importance of decoupling the contribution of each transition metal to performance degradation. © 2019 American Chemical Society
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    Potassium silicate alteration in porphyry copper‑gold deposits: a case study at the giant maar-diatreme hosted Grasberg deposit, Indonesia
    (Elsevier, 2022-12) Henley, RW; Mernagh, TP; Leys, C; Troitzsch, U; Bevitt, JJ; Brink, F; Gardner, J; Knuefing, L; Wheeler, J; Limaye, A; Turner, M; Zhang, Y
    Potassium silicate alteration is a hallmark of the porphyry copper deposits that supply two thirds of the world's annual copper demand. These deposits formed in the cores of calc-alkaline to alkaline volcanic systems from the flux of magmatic gas that transported copper and other metals from source to the surface. The giant 3.2 Ma Grasberg Cu[sbnd]Au deposit formed within a maar-diatreme complex following a resurgence in magmatism. The defined resources of this deposit occur from a few hundred metres depth to 1.7 km below the paleosurface which, uniquely in this deposit, is partially preserved as a section of maar tuffs. Potassium silicate alteration has commonly been interpreted as being the result of the addition of potassium to the porphyry copper host rocks via pervasive interaction with a large volume of a potassium-rich brine that is commonly presumed to be of magmatic origin. However, the data reported here show that alteration at the deposit scale is essentially isochemical with respect to the major rock-forming components and that only sulphur and the economic metals (Cu, Mo, Au, etc.) are added by flux of reactive magmatic gas containing SO2 and HCl from source intrusions at depth. Silicate solubilities are very low so that only a minor fraction of the total alkalis in the host rock are extracted by alteration reactions and then discharged at the paleo-surface. Reaction of the magmatic gas phase with plagioclase results in the coupled deposition of anhydrite (CaSO4) and disproportionation of SO2 to release H2S. The in-situ release of H2S immediately scavenges Cu and other chalcophile metals from the continuing magmatic gas flux to form the Cu-, Fe- and other sulphides that, in sufficient concentration, make up the economic reserve available to mining. The sequestration of Ca into anhydrite, along with deposition of silica into early quartz veins, increases the concentration of the other major components (K2O, Na2O, MgO, etc) in the remaining silicate assemblage within the porous host rock. The result is the development of intermingled potassium-enriched silicate and sulphur-rich (anhydrite-sulphide) sub-assemblages that constitute the mineralised phyllic or potassic alteration zones. These crystallise according to their pressure and depth into alteration assemblages dominated by potassic phyllosilicates, quartz and pyrite in the phyllic alteration zone, and alkali feldspar and phlogopitic-biotite plus minor andalusite and corundum in the central potassic zone. Dissolution and recrystallisation of primary magmatic biotite in the host rock releases K as well as Fe, the latter (along with amphibole and feldspar) providing iron for the formation of chalcopyrite, bornite and pyrite. The in-situ release of H2S through anhydrite formation, immediately scavenges Cu and other chalcophile metals from the continuing magmatic gas flux to form the Cu[sbnd]Fe[sbnd] sulphides that, in sufficient concentration, make up the economic reserve available to mining. Understanding of the alteration processes during porphyry copper formation also provides insights into gas-solid reactions processes inside active magmatic arc volcanoes but the magnitude of copper mineralisation is dependent on the original metal content of the source of the magmatic gas phase. © 2022 Elsevier B.V.
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    Practical high-performance lead-free piezoelectrics: structural flexibility beyond utilizing multiphase coexistence
    (Oxford University Press, 2020-02-01) Liu, Q; Zhang, Y; Gao, J; Zhou, Z; Yang, D; Lee, KY; Studer, AJ; Hinterstein, M; Wang, K; Zhang, X; Li, L; Li, JF
    Due to growing concern for the environment and human health, searching for high-performance lead-free piezoceramics has been a hot topic of scientific and industrial research. Despite the significant progress achieved toward enhancing piezoelectricity, further efforts should be devoted to the synergistic improvement of piezoelectricity and its thermal stability. This study provides new insight into these topics. A new KNN-based lead-free ceramic material is presented, which features a large piezoelectric coefficient (d33) exceeding 500 pC/N and a high Curie temperature (Tc) of  ∼200°C. The superior piezoelectric response strongly relies on the increased composition-induced structural flexibility due to lattice softening and decreased unit cell distortion. In contrast to piezoelectricity anomalies induced via polymorphic transition, this piezoelectricity enhancement is effective within a broad temperature range rather than a specific small range. In particular, a hierarchical domain architecture composed of nano-sized domains along the submicron domains was detected in this material system, which further contributes to the high piezoelectricity. © C TheAuthor(s) 2019. Published by OxfordUniversity 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 (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.Media Ltd. (Science Press).
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    Self-assembly of a unique 3d/4f heterometallic square prismatic box-like coordination cage
    (Royal Society of Chemistry, 2016-05-23) Li, L; Zhang, Y; Avdeev, M; Lindoy, LF; Harman, DG; Zheng, RK; Cheng, Z; Aldrich-Wright, JR; Li, F
    AbstractWe present the synthesis and characterization of a unique, slightly distorted square prismatic, box-like coordination cage of type [Cu6Dy8L8(MeOH)8(H2O)6](NO3)12·χsolvent obtained via the supramolecular assembly between a non-centrosymmetric Dy(III) metalloligand and Cu(II) nitrate. Magnetic susceptibility measurements indicate that the complex behaves as a single-molecule magnet. © 2016 Royal Society of Chemistry
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    Surface characterization of Li-substituted compositionally heterogeneous NaLi0.045Cu0.185Fe0.265Mn0.505O2 sodium-ion cathode material
    (American Chemical Society, 2019-04-11) Rahman, MM; Zhang, Y; Xia, S; Kan, WH; Avdeev, M; Mu, L; Sokaras, D; Kroll, T; Du, XW; Nordlund, D; Liu, Y; Lin, F
    The understanding of surface chemical and structural processes can provide some insights into designing stable sodium cathode materials. Herein, Li-substituted and compositionally heterogeneous NaLi0.045Cu0.185Fe0.265Mn0.505O2 is used as a platform to investigate the interplay between Li substitution, surface chemistry, and battery performance. Li substitution improves the initial discharge capacity and energy density. However, there is no noticeable benefit in the long-term cycling stability of this material. The Li substitution in the transition-metal (TM) layer also seems to influence the transition-metal (TM) 3d–oxygen (O) 2p hybridization. Upon desodiation, the surface of active particles undergoes significant transition-metal reduction, especially Mn. Furthermore, the presence of electrolyte drastically accelerates such surface degradation. In general, the Li-substituted material experiences severe surface degradation, which is partially responsible for the performance degradation upon long-term cycling. While some studies have reported the benefits of Li substitution, the present study suggests that the effectiveness of the Li substitution strategy depends on the TM compositional distribution. More efforts are needed to improve the surface chemistry of Li-substituted sodium cathode materials. © 2019 American Chemical Society
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    Synthesis and characterisation of two new tripodal metalloligands incorporating zinc(II)
    (Springer Nature, 2015-05-06) Fanna, DJ; Smith, A; Zhang, Y; Li, L; Shepherd, ND; Harman, DG; Li, F
    The in situ Schiff base condensation of 2-acetylpyrazine with tris(2-aminoethyl)amine in the presence of zinc(II) perchlorate was carried out in absolute ethanol and 95 % ethanol, respectively. Two new tripodal metalloligands, 1 and 2, were isolated. The formation of complexes 1 and 2 has been verified by NMR, mass spectral studies and X-ray (for 2), with the evidence indicating that a zinc ion is incorporated in the tripodal cavity defined by the tren backbone in each case. However the products differed in the number of Schiff base condensation reactions that had occurred. While the use of absolute ethanol resulted in condensation at all three primary amine sites of tris(2-aminoethyl)amine, employing 95 % ethanol yielded condensation at only one of the primary amine sites. These different outcomes can be ascribed, at least in part, to the effect of the different water contents in the respective reaction solvents resulting in a shift of the dynamic equilibrium involving imine formation towards the precursor amine and ketone reagents. In 1, steric considerations dictate that the three uncoordinated pyrazine nitrogen donors will have their coordination vectors oriented in a mutually divergent manner suitable for coordination to three different metal centres when acting as a metalloligand while for 2, the X-ray structure confirms that the single uncoordinated (pendent) pyrazine nitrogen is also oriented for ready coordination to a second metal centre. © 2015 Springer Science+Business Media Dordrecht
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    Unraveling the sign reversal of the anomalous Hall effect in ferromagnet/heavy-metal ultrathin films
    (American Physical Society, 2023-03-01) Zhang, Y; Cortie, DL; LaGrange, T; Lee, W; Butler, T; Ludbrook, B; Granville, S
    The sign reversal in the anomalous Hall effect (AHE) that occurs for material offers great prospects for AHE-based spintronic devices design. However, the mechanisms are still controversial in ultrathin ferromagnetic/heavy metal thin film systems due to the complicatedly interfacial effects. Here, we investigate the AHE sign reversal in ultrathin ferromagnetic Mn2CoAl/Pd films, a system which has shown unusual AHE, significant spin-orbit coupling, and magnetic texturing. Element-sensitive cross-sectional STEM imaging and the depth-resolved magnetization profile from polarized neutron reflectometry identifies the presence of a second ferromagnetic layer from intermixed Co-Pd. To quantitatively explain the sign reversal of the AHE, we build a model based on two contributions, ferromagnetic Mn2CoAl and the intermixed CoPd layer. We also clarify that contributions to the AHE from magnetic proximity and spin Hall effect are negligible. Our work demonstrates that interfacial alloying can be a critical factor and provides insightful methods to determine the origins of the AHE in ferromagnet/heavy-metal thin film systems. © 2024 American Physical Society.