• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.87.1-87.1
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• 2017

High functional catalyst to efficiently produce clean and earth-abundant renewable fuels plays a key role in securing energy sustainability and environmental protection of our society. Hydrogen has been considered as one of the most promising energy carrier as represented by focused research works on developing catalysts for the hydrogen evolution reaction (HER) from the water hydrolysis over the last several decades. So far, however, the major catalysts are expensive transition metals. Here using first principles density functional theory (DFT) calculations we screen various pyrites for HER by identifying fundamental descriptor governing the catalytic activity. We enable to capture a strong linearity between experimentally measured exchange current density in HER and calculated adsorption energy of hydrogen atom in the pyrites. The correlation implies that there is an underlying design principle tuning the catalytic activity of HER.

• Journal of the Korean institute of surface engineering
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• v.56 no.4
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• pp.243-249
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• 2023

Urea oxidation reaction (UOR) via electrochemical oxidation process can replace oxygen evolution reaction (OER) for green hydrogen production since UOR has lower thermodynamic potential (0.37 V_RHE) than that of OER (1.23 V_RHE). However, in the case of UOR, 6 electrons are required for the entire UOR. For this reason, the reaction rate is slower than OER, which requires 4 electrons. In addition, it is an important challenge to develop catalysts in which both oxidation reactions (UOR and OER) are active since the active sites of OER and UOR are opposite to each other. We prove that among the NiFe₂O₄ nanoparticles synthesized by the hydrothermal method at various synthesis temperatures, NiFe₂O₄ nanoparticle with properly controlled particle size and crystallinity can actively operate OER and UOR at the same time.

• Transactions of the Korean hydrogen and new energy society
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• v.29 no.6
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• pp.549-558
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• 2018

The overall efficiency depend on the overpotential of the oxygen evolution reaction in alkaline water electrolysis. Therefore, it is necessary to research to reduce the oxygen evolution overpotential of electrodes. In this study, Ni-Zn-Fe electrodes were prepared by electroplating and the surface area was increased by Zn leaching process. Electroplating variables were studied to optimize the plating parameters(electroplating current density, pH value of electroplating solution, Ni/Fe content ratio). Ni-Zn-Fe electrode, which is electroplated in a modified Watts bath, showed 0.294 V of overpotential at $0.1A/cm^2$. That result is better than that of Ni and Ni-Zn plated electrodes. As the electroplating current density of the Ni-Zn-Fe electrode increased, the particle size tended to increase and the overpotential of oxygen evolution reaction decreased. As reducing pH of electroplating solution from 4 to 2, Fe content in electrode and activity of oxygen evolution reaction decreased.

• Bulletin of the Korean Chemical Society
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• v.21 no.8
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• pp.805-808
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• 2000

Mixed crystal powders based on Cd,Fe, and S have been synthesized by varying the ratio of CdS and $FeS_2in$ order to find a suitable material usefuI for the effectivc conversion of solar energy. Hydrogen gas was evolved only with CdS/Ptby photocatal ytic reaction under white light in an aqueous 1 M sodiumsulfite solution. From electrochemical studies of semiconductor electrodes. itwas shown that the onset potential shifted to the positive direction and that the bandgap energy also decreased as the molar ratio of Fe increased. A hydrogen evolution mechanism in terms of the conduction band potential and hydrogen evolution potential is proposed.

• Korean Journal of Materials Research
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• v.33 no.5
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• pp.175-188
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• 2023

Water electrolysis holds great potential as a method for producing renewable hydrogen fuel at large-scale, and to replace the fossil fuels responsible for greenhouse gases emissions and global climate change. To reduce the cost of hydrogen and make it competitive against fossil fuels, the efficiency of green hydrogen production should be maximized. This requires superior electrocatalysts to reduce the reaction energy barriers. The development of catalytic materials has mostly relied on empirical, trial-and-error methods because of the complicated, multidimensional, and dynamic nature of catalysis, requiring significant time and effort to find optimized multicomponent catalysts under a variety of reaction conditions. The ultimate goal for all researchers in the materials science and engineering field is the rational and efficient design of materials with desired performance. Discovering and understanding new catalysts with desired properties is at the heart of materials science research. This process can benefit from machine learning (ML), given the complex nature of catalytic reactions and vast range of candidate materials. This review summarizes recent achievements in catalysts discovery for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). The basic concepts of ML algorithms and practical guides for materials scientists are also demonstrated. The challenges and strategies of applying ML are discussed, which should be collaboratively addressed by materials scientists and ML communities. The ultimate integration of ML in catalyst development is expected to accelerate the design, discovery, optimization, and interpretation of superior electrocatalysts, to realize a carbon-free ecosystem based on green hydrogen.

• Korean Journal of Materials Research
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• v.29 no.12
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• pp.798-803
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• 2019

The self-discharge behavior of zinc-air batteries is a critical issue induced by corrosion and hydrogen evolution reaction (HER) of zinc anode. The corrosion reaction and HER can be controlled by a gelling agent and concentration of potassium hydroxide (KOH) solution. Various concentrations of KOH solution and polyacrylic acid have been used for gel electrolyte. The electrolyte solution is prepared with different concentrations of KOH (6 M, 7 M, 8 M, 9 M). Among studied materials, the cell assembled with 6 M KOH gel electrolyte exhibits the highest specific discharge capacity and poor capacity retention. Whereas, 9 M KOH gel electrolyte shows high capacity retention. However, a large amount of hydrogen gas is evolved with 9 M KOH solution. In general, the increase in concentration is related to ionic conductivity. At concentrations above 7 M, the viscosity increases and the conductivity decreases. As a result, compared to other studied materials, 7 M KOH gel electrolyte is suitable for Zn-air batteries because of its higher capacity retention (92.00 %) and specific discharge capacity (351.80 mAh/g) after 6 hr storage.

• Journal of computational fluids engineering
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• v.9 no.1
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• pp.25-33
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• 2004

Flame onset and propagation within hydrogen premixed gas mixture are numerically investigated in an rectangular enclosure. A detailed chemistry for hydrogen reaction is applied to anticipate the thermochemical behavior of intermediate species appropriately. To facilitate computation, 10 species and 16 elementary reaction steps for hydrogen combustion are taken into account. On the basis of 30％ of hydrogen concentration in hydrogen-air mixture, the effects of position and quantity of ignition sources on the flame evolution are analyzed. From the simulation results, the methods to decrease the potential hazard caused by the flame propagation are suggested.

• Transactions of the Korean hydrogen and new energy society
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• v.1 no.1
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• pp.9-14
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• 1989

Mixed photocatalyst containing cadmium sulfide and zinc sulfide was prepared on silica gel powder and Nafion film. Photo-irradiation of aqueous mixture containing the photocatalysis generated hydrogen by water cleavage reaction. Use of sodium sulfide as sacrificial reagent help the photo-reaction. Evolution of the hydrogen was measured by gas chromatographic analysis. Composition of the catalyst was determined by atomic absorption spectrophotometer. 0.2 mL of of hydrogen was generated per hour. The maximun catalytic activity was obtained after 8-12 hours later. Hydrogen generation efficiency by the two different catalytic system was compared and showed that the Nafion-based catalyst is more efficient than the silicagel-based catalyst for the photoreaction.

• Proceedings of the KSME Conference
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• 2003.11a
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• pp.350-355
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• 2003

Flame onset and propagation within hydrogen premixed gas mixture are numerically investigated in an rectangular enclosure. A detailed chemistry for hydrogen reaction is applied to anticipate the thermochemical behavior of intermediate species appropriately. To facilitate computation, 10 species and 16 elementary reaction steps for hydrogen combustion are taken into account. On the basis of 30 % of hydrogen concentration in hydrogen-air mixture, the effects of position and quantity of ignition sources on the flame evolution are analyzed. From the simulation results, the means that can lessen the possible hazard caused by flame propagation are suggested.

• Journal of the Korean Electrochemical Society
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• v.26 no.4
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• pp.64-70
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• 2023

Global warming is getting worse since a dramatic increase in greenhouse gas emissions recently. As a result, the necessity and implementation of carbon neutrality is required more urgently. To do this, among various new and renewable energies, attention in hydrogen arises. Hydrogen as a carbon-free power source is an abundant resource on Earth and is eco-friendly. Eventually, perfectly eco-friendly hydrogen can be obtained through electrolysis of water. However, the catalyst used in the oxygen evolution reaction is rare and expensive, and has a durability issue. Consequently, the development of a non-precious metal catalyst is necessary. In this review paper, we summarize and introduce Co- and Mo- based catalysts among recently announced oxygen evolution catalysts. This will help understand the design of catalyst to increase the activity and durability of non-precious metal catalysts.