Late News Poster Session: Energy & Environment (including REWAS 2022 Symposia)
Program Organizers: TMS Administration
Monday 5:30 PM
February 28, 2022
Room: Exhibit Hall C
Location: Anaheim Convention Center
D-29: DFT Studies on the HER Activity, Electronic Structure, and Bonding Properties of the Boride MoxVx-1B2 (0 < x < 1): Johan Yapo1; Eunsoo Lee1; Boniface Fokwa1; 1University of California Riverside
Samples of the solid solution range of MoxVx-1B2 (x=0.1 to 0.9) were synthesized and experimental measurements of their Hydrogen evolution reaction (HER) activity revealed an increase in activity with increasing Mo content peaking at Mo0.7V0.3B2 before decreasing. In this work density-functional theory (DFT) is used to study the HER active sites of the {110} and {101} layers of both Mo0.5V0.5B2 and Mo0.66V0.33B2 using the calculated Gibbs free energy of hydrogen (ΔGH) binding onto the surface as the descriptor. In conjunction with this it was also experimentally found that the c lattice parameter also followed the same trend of increasing to a maximum for Mo0.7V0.3B2 before decreasing. In the next part of this study, the density of state (DOS) and Crystal Orbital Hamilton Populations (COHP) of the models will be studied to find the relationship between their electronic structures and bonding properties of these borides to their HER activity.
D-30: Electricity Properties of Foam Insulation Materials: Ibrahim Gunes1; 1Istanbul University Cerrahpasa
In this study, electrical puncture of foam insulators is studied. Calculation of dielectric constants, electrical punctures and usage areas of insulators, especially foam insulators, are studied. Electrical polarization causes an accumulation of electrical charge on the material surface. The dielectric constant is dependent on temperature and frequency. The dielectric constant of a plastic is determined by dram the capacitance of a capacitor filled with this plastic to the air capacity of the same capacitor. It is a measure of the ability of a plastic to store electrostatic energy in an electric field. The dielectric constant or permittivity is very important in the study of capacitance effects. To determine whether it can create an alternative. Puncture of 0.2 cm Thick Polyurethane: Puncture strength calculation: 10kV/0.2cm=50kV/cmThe fact that the air bubble rate of the material was very low caused its puncture resistance to be very high.
D-31: Extraction of Strategic Metals from Spent Catalyst by Using Integrated Hydrometallurgical Approach: Rajesh Kumar Jyothi1; Jong Hyuk Jeon1; In-Hyeok Choi2; Ana Belen Cueva-Sola1; Jin-Young Lee1; Hee-Nam Kang1; 1Korea Institute of Geoscience & Mineral Resources; 2HANNAE for T (Spent Catalyst Recycling Company),
Currently the main focus in the industry and government policies is toward the protection of the environment and the minimization of the pollutants in air, water banks and soil. Thus, the laws and policies have become more and more rigorous throughout the years. Specifically, air pollution is one of the most important problems needed to improve in industrial and urban areas. Industry and vehicles are very dependent on fuel combustion for the energy generation but the pollutants discarded exceed the current legal values and need to be treated before released to the environment. Nitrogen oxides (NOx) constitutes one of the main air pollutants necessary to be reduced. The current experimental methodology was developed to recover strategic metals from spent catalysts leach liquors by environmentally sound hydrometallurgical routes.
Cancelled
D-32: Influence of the Dielectric Constant of Ba(1-x)Sr(x)TiO3 and Flux Mediated Ion Doping on Photoreactivity: Nnamdi Ene1; Gregory Rohrer1; Paul Salvador1; 1Carnegie Mellon University
Photochemical water splitting is one of the ways we convert the sun’s energy to electrical energy through hydrogen fuel production. In this process, photocatalysts with space charges within the energy range of visible light generate electron-hole pairs in the presence of light which can interact with water ions to form hydrogen. Many factors can affect the photochemical reactivity of a photocatalyst. In this study, we use the solid solution barium strontium titanate, Ba(1-x)Sr(x)TiO3 as our photocatalyst. It has a phase change at x=0.26 which corresponds to a discontinuous change in the dielectric constant. We looked at the effect of the dielectric constant change on the photochemical reactivity of the catalyst. We also studied the effect of doping the catalyst with the trivalent Al3+ ion in the presence of SrCl2 flux as both the dissolving in a flux and metal ion doping have been shown to improve the photoreactivity of photocatalysts.
D-33: Iron-rich Layered Chalcogenide Fe5Ge2Te2 for Highly Efficient Hydrogen Evolution: Diana Luong1; Eunsoo Lee1; Amir Rezaie1; Johan Yapo1; Boniface Fokwa1; 1University of California, Riverside
Recently, we reported the HER activity of Fe3GeTe2 (FGT), a van der Waals (vdW) material which exhibited both basal plane and edge site activity. Sonicated FGT that was compressed by spark plasma sintering (SPS) yielded the greatest activity relative to the bulk and sonicated forms by providing the most electrode coverage. Expanding on this, we now report on the HER activity of Fe5Ge2Te2 (FG2T), a material analogous to FGT.FG2T was synthesized via a solid-state reaction and characterized by powder X-ray diffraction (PXRD), scanning electron microscope (SEM), and energy dispersive X-ray spectroscopy (EDS) mapping. Using a sonicated SPS sample, we show that FG2T requires an overpotential of −90.5 mV to drive a current density of 10 mA/cm2, a 13% increase compared to FGT. Density functional theory (DFT) revealed more active sites versus FGT, strengthening the idea of the continued screening of iron-based vdW materials.
D-34: Molybdenum Borocarbide (Mo2BC) as a New Electrocatalyst for Hydrogen Evolution Reaction: Eunsoo Lee1; Boniface Fokwa1; 1University of California, Riverside
Mo2BC is an interesting material because it consists of both boride and carbide sub-cell: Mo6B trigonal prisms (MoB subcell), and Mo6C octahedron (MoC subcell). Therefore, it would have potential as HER electrocatalysts because both MoB and MoC have good HER activity. In this work, we apply Mo2BC to HER electrocatalyst for the first time.Mo2BC has been synthesized by an arc-melting. Then, disk type electrode was prepared to measure HER activity. As we expected, it is showing high HER activity (η10=-182 mV). To study the effect of the electrode preparation method, we made 2 more types of electrodes: pressed bulk powder pellet, and pressed ball-milled pellet. Among the electrodes, a ball-milled pellet electrode, which had a much higher surface area, showed 2 times better HER activity than that of a disk-type electrode. These results are showing that Mo2BC has huge potential as a new non-noble electrocatalyst for HER.
D-35: Study on the Gasification Reactivity of Hypercoal Coke: Jun Zhao1; Xiaolin Song1; Haibin Zuo2; 1China University of Mining and Technology; 2University of Science and Technology Beijing
This paper aimed to utilize low-rank coal and biomass in the coking process effectively; through co-thermal extraction method the hyper-coal (BIOC-HPC) was produced and its performance as an addition component in coking process was also investigated. The effect of the addition amount of BIOC-HPC extracted from 80wt% low-rank coal and 20wt% biomass on the coke strength, and the mechanical strength of HPC-coke was investigated. Raman spectroscopy and Infrared Spectroscopy (IR) were used to analyze the carbonaceous structure of BIOC-HPC coke. The results showed that the optimal addition ratio of BIOC-HPC in coal blending for coking was 15wt%, and the compressive strength and drum strength after reaction of HPC-coke were 3.6 Mpa and 52%, respectively. The gasification reaction rate of coke can be increased by adding BIOC-HPC. When the ratio of BIOC-HPC is 20wt% and the gasification temperature is 1200 ℃, the gasification rate is increased from 21% to 39%.