Synthesis of Monocarboxylic Acids via Direct CO2 Conversion over Ni-Zn Intermetallic Catalysts
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99 GENERAL AND MISCELLANEOUS↗
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Data from: Short-Term Inhibition and Long-Term Enhancement of IrreversibleTrace Metal Binding to Goethite in Multi-Metal Systems
These files include the data used in all figures from the following paper: Short-Term Inhibition and Long-Term Enhancement of Irreversible Trace Metal Binding to Goethite in Multi-Metal Systems Below is a brief description of each of the figures and associated data. Fig 1. Ni adsorption isotherms to goethite in the presence and absence of Zn and Cd Fig 2. % of Ni, Zn, and Cd exchanged as a function of time in isotope exchange experiments conducted after 2 days, 30 days, and 60 days aging. Fig. 3. This shows the % of Ni, Cd, and Zn in single metal and mixed metal systems that is non-exchangeable, both in units of % non-exchangeable and in micromoles of metal per gram of goethite. Fig. 4. Particle size distributions of Ni-Zn and Ni-Cd systems after aging. Fig 5. Ni and Zn XANES fits for Ni-Cd and Ni-Zn systems after 30 and 60 days aging. Linear combination fits were performed between freshly adsorbed and incorporated phases (synthesized as Ni- or Zn-substituted goethite) to determine the proportions of each. Figure S1. Dissolved Metal Concentrations at the Start of Isotope Exchange Figure S2. Reactor pH with Aging Figure S3. Dissolved Cd and Ni Concentrations during Isotope Exchange Figure S4. Dissolved Zn and Ni Concentrations during Isotope Exchange Figure S5. Tracer Mole Fractions in Ni-Zn Isotope Exchange Experiments Figure S6. Tracer Mole Fractions in Ni-Cd Isotope Exchange Experiments
58 GEOSCIENCES↗
Zeolitic-Imidazolate Framework Derived Intermetallic Nickel Zinc Carbide Material as a Selective Catalyst for CO 2 to CO Reduction at High Pressure
The conversion of CO 2 into CO is an important step in CO 2 utilization to achieve clean fuels and value-added chemicals. Herein, we explored the pyrolysis of zeolitic imidazolate framework-8 (ZIF-8) loaded with different amounts of Ni 2+ to obtain Ni-Zn carbide (Ni 3 ZnC) embedded in N-doped carbon. Ni is present in the intermetallic compound, while Zn excess remains on the N-doped carbon. The Ni 3 ZnC phase catalyzes the selective hydrogenation of CO 2 into CO via the reverse water gas shift reaction, reaching 100 % CO selectivity at ~30 % CO 2 conversion at 450 °C and atmosphere pressure (CO 2 :H 2 =1:4, GHSV=30000 mL g cat -1 h -1 ). The methanation reaction of CO 2 /CO, which is usually favored over Ni catalysts, is suppressed. The selectivity to CO at the expense of CH 4 is related to the stability of chemisorbed CO in the Ni 3 ZnC surface, which is lower compared to Ni surfaces. The Ni 3 ZnC@NC catalyst is selective towards CO over a wide range of conditions, including high pressure, that is usually required for the conversion of CO to hydrocarbons and alcohols via the Fisher-Tropsch synthesis (FTS) process. Contrarily, a classical Ni/SiO 2 catalyst prepared by impregnation produces CH 4 under high pressure.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Zinc dendrite removal in a nickel-zinc battery with flow-through electrodes
The development and deployment of inexpensive energy storage technologies is critical to realizing a clean energy grid. Batteries are being used in this role, but there remains a need for research on systems that are designed specifically for stationary energy storage, with a focus on lowering the overall cost rather than prioritizing the system energy density, specific energy, and power output. Here, we report the development of ultra-thick (1 cm thick) electrodes with engineered flow channels and explore the variables determining how thick these electrodes can feasibly be. Our proof of concept cell, utilizing the alkaline Ni-Zn chemistry, shows stable cycling over the initial 60 cycles but still suffers from the common Zn dendrite growth at the anode. To extend the life of these systems we report our novel methodology to completely remove Zn dendrites by exploiting the flow-through nature of our electrode architecture.
Collins-Wildman, Daniel L↗
Broadband and Tunable Microwave Absorption Properties from Large Magnetic Loss in Ni–Zn Ferrite
Highly effective electromagnetic (EM) wave absorber materials with strong reflection loss (RL) and a wide absorption bandwidth (EBW) in gigahertz (GHz) frequencies are crucial for advanced wireless applications and portable electronics. Traditional microwave absorbers lack magnetic loss and struggle with impedance matching, while ferrites are stable, exhibit excellent magnetic and dielectric losses, and offer better impedance matching. However, achieving the desired EBW in ferrites remains a challenge, necessitating further composition design. In this study, impedance matching is successfully enhanced and EBW in Ni–Zn ferrite is broadened by successive doping with Mn and Co , without incorporation of any polymer filler. It is found that Ni 0.4 Co 0.1 Zn 0.5 Fe 1.9 Mn 0.1 O 4 material exhibits exceptional EM wave absorption, with a maximum RL of −48.7 dB. It also featured a significant EBW of 10.8 GHz, maintaining a 90% absorption rate (RL < −10 dB) for a thickness of 4.5 mm. These outstanding properties result from substantial magnetic losses and favorable impedance matching. These findings represent a significant step forward in the development of microwave absorber materials, addressing EM wave pollution concerns within GHz frequencies, including the frequency band used in popular 5G technology.
36 MATERIALS SCIENCE↗
Materials Data on Zn11Ni2 by Materials Project
Ni2Zn11 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ni is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Ni–Zn bond distances ranging from 2.57–2.73 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.66 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.97 Å. In the third Zn site, Zn is bonded in a 7-coordinate geometry to two equivalent Ni and eleven Zn atoms. The Zn–Zn bond length is 2.58 Å.
36 MATERIALS SCIENCE↗
Materials Data on ZnNi by Materials Project
NiZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ni–Zn bond lengths are 2.50 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
36 MATERIALS SCIENCE↗
Materials Data on ZnNi by Materials Project
NiZn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni is bonded to four equivalent Zn atoms to form corner-sharing NiZn4 tetrahedra. All Ni–Zn bond lengths are 2.31 Å. Zn is bonded to four equivalent Ni atoms to form corner-sharing ZnNi4 tetrahedra.
36 MATERIALS SCIENCE↗
Materials Data on ZnNi3 by Materials Project
ZnNi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Zn atoms to form NiZn4Ni8 cuboctahedra that share corners with twelve equivalent NiZn4Ni8 cuboctahedra, edges with eight equivalent ZnNi12 cuboctahedra, edges with sixteen equivalent NiZn4Ni8 cuboctahedra, faces with four equivalent ZnNi12 cuboctahedra, and faces with fourteen equivalent NiZn4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. All Ni–Zn bond lengths are 2.52 Å. Zn is bonded to twelve equivalent Ni atoms to form ZnNi12 cuboctahedra that share corners with twelve equivalent ZnNi12 cuboctahedra, edges with twenty-four equivalent NiZn4Ni8 cuboctahedra, faces with six equivalent ZnNi12 cuboctahedra, and faces with twelve equivalent NiZn4Ni8 cuboctahedra.
36 MATERIALS SCIENCE↗
Materials Data on Zn3Ni by Materials Project
NiZn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ni is bonded to twelve Zn atoms to form NiZn12 cuboctahedra that share corners with four equivalent NiZn12 cuboctahedra, corners with eight equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and eight longer (2.69 Å) Ni–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ni and eight Zn atoms to form ZnZn8Ni4 cuboctahedra that share corners with twelve equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Ni and eight equivalent Zn atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent ZnZn8Ni4 cuboctahedra, corners with eight equivalent NiZn12 cuboctahedra, edges with twenty-four ZnZn8Ni4 cuboctahedra, faces with six equivalent NiZn12 cuboctahedra, and faces with twelve ZnZn8Ni4 cuboctahedra.
36 MATERIALS SCIENCE↗
Materials Data on Zn22Ni3 by Materials Project
Ni3Zn22 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to eleven Zn atoms. There are a spread of Ni–Zn bond distances ranging from 2.50–2.64 Å. In the second Ni site, Ni is bonded in a cuboctahedral geometry to twelve Zn atoms. There are a spread of Ni–Zn bond distances ranging from 2.53–2.63 Å. There are eight inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two Ni and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–3.03 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to two equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.72 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to two Ni and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.76 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Ni and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.88 Å. In the fifth Zn site, Zn is bonded in a 1-coordinate geometry to one Ni and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–3.00 Å. In the sixth Zn site, Zn is bonded in a 10-coordinate geometry to one Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.76 Å. In the seventh Zn site, Zn is bonded in a 12-coordinate geometry to one Ni and eleven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.97 Å. In the eighth Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ni and five Zn atoms.
36 MATERIALS SCIENCE↗
Materials Data on Zn3Ni by Materials Project
NiZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to twelve equivalent Zn atoms to form NiZn12 cuboctahedra that share corners with six equivalent NiZn12 cuboctahedra, corners with twelve equivalent ZnZn8Ni4 cuboctahedra, edges with eighteen equivalent ZnZn8Ni4 cuboctahedra, faces with eight equivalent NiZn12 cuboctahedra, and faces with twelve equivalent ZnZn8Ni4 cuboctahedra. There are six shorter (2.62 Å) and six longer (2.66 Å) Ni–Zn bond lengths. Zn is bonded to four equivalent Ni and eight equivalent Zn atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent NiZn12 cuboctahedra, corners with fourteen equivalent ZnZn8Ni4 cuboctahedra, edges with six equivalent NiZn12 cuboctahedra, edges with twelve equivalent ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with sixteen equivalent ZnZn8Ni4 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.72 Å.
36 MATERIALS SCIENCE↗
Materials Data on ZnNi4 by Materials Project
Ni4Zn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded to nine Ni and three equivalent Zn atoms to form NiZn3Ni9 cuboctahedra that share corners with twelve NiZn3Ni9 cuboctahedra, edges with six equivalent ZnZn6Ni6 cuboctahedra, edges with eighteen NiZn3Ni9 cuboctahedra, faces with six equivalent ZnZn6Ni6 cuboctahedra, and faces with twelve NiZn3Ni9 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.53 Å) Ni–Ni bond lengths. All Ni–Zn bond lengths are 2.53 Å. In the second Ni site, Ni is bonded to twelve Ni atoms to form NiNi12 cuboctahedra that share corners with three equivalent ZnZn6Ni6 cuboctahedra, corners with nine NiZn3Ni9 cuboctahedra, edges with three equivalent ZnZn6Ni6 cuboctahedra, edges with twenty-one NiZn3Ni9 cuboctahedra, and faces with eighteen NiZn3Ni9 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.53 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to twelve Ni atoms to form NiNi12 cuboctahedra that share corners with three equivalent ZnZn6Ni6 cuboctahedra, corners with nine NiZn3Ni9 cuboctahedra, edges with three equivalent ZnZn6Ni6 cuboctahedra, edges with twenty-one NiZn3Ni9 cuboctahedra, and faces with eighteen NiZn3Ni9 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.53 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded to twelve Ni atoms to form NiNi12 cuboctahedra that share corners with three equivalent ZnZn6Ni6 cuboctahedra, corners with nine NiNi12 cuboctahedra, edges with three equivalent ZnZn6Ni6 cuboctahedra, edges with twenty-one NiNi12 cuboctahedra, and faces with eighteen NiNi12 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.53 Å. In the fifth Ni site, Ni is bonded to twelve Ni atoms to form NiNi12 cuboctahedra that share corners with three equivalent ZnZn6Ni6 cuboctahedra, corners with nine NiNi12 cuboctahedra, edges with three equivalent ZnZn6Ni6 cuboctahedra, edges with twenty-one NiNi12 cuboctahedra, and faces with eighteen NiNi12 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.53 Å) Ni–Ni bond lengths. Zn is bonded to six equivalent Ni and six equivalent Zn atoms to form ZnZn6Ni6 cuboctahedra that share corners with six NiNi12 cuboctahedra, corners with six equivalent ZnZn6Ni6 cuboctahedra, edges with six equivalent ZnZn6Ni6 cuboctahedra, edges with eighteen NiNi12 cuboctahedra, faces with six equivalent ZnZn6Ni6 cuboctahedra, and faces with twelve equivalent NiZn3Ni9 cuboctahedra. All Zn–Zn bond lengths are 2.53 Å.
36 MATERIALS SCIENCE↗