본 연구에서는 상용 폴리염화비닐을 개질하여 두 종류의 PVC 기반 이온교환용 고분자를 성공적으로 제조하였다. 이후 개질된 두 이온교환 고분자를 활용한 전기방사 공정과 열 압착 공정을 거쳐 2차원 계면(2D-PVC-BPM)과 3차원 접합부 (3D-PVC-BPM)를 갖는 바이폴라막(BPM)을 제조하였다. 제조된 3D-PVC-BPM은 2D-PVC-BPM에 비해 우수한 물 분해 효율 및 안정성을 보였다. 구체적으로, 300 mA cm-2의 고전류 밀도에서 3D-PVC-BPM은 2D-PVC-BPM가 나타낸 전위보다 4.4 V 낮은 8.05 V의 막 전위를 나타냈다. 더욱이, PVC 주쇄가 가진 내화학성 덕분에 3D-PVC-BPM은 가혹한 조건에서도 높은 화 학적 안정성을 보였고, 이는 4 M H2SO4 및 4 M NaOH 용액에 28일간 침지한 후 관측된 질량 손실이 각각 2.8%와 2.1%에 그친 것을 통해 입증되었다. 끝으로, 3차원 접합부가 3D-PVC-BPM에 맞물림(interlocking) 효과와 넓은 계면면적을 제공해준 덕분에 3D-PVC-BPM의 인장 강도는 36 MPa를 초과했고 신장률 또한 약 50%에 이르는 등 우수한 기계적 물성을 나타냈다.

Hydrogen production via photoelectrochemical water splitting relies on the effectiveness of the photoelectrodes. Preparing low-dimensional structures of oxide semiconductors is a promising approach to fabricating effective photoelectrodes, by enhancing the surface-to-volume ratios of the photocatalytic materials. In this study, we performed a comparative investigation of the photoelectrochemical characteristics of p-type oxide semiconductor cupric oxide (CuO) photocathodes based on CuO thin film and nanorods. The CuO thin film was prepared via a facile method involving sputtering a Cu metallic film and subsequent thermal oxidation, while the CuO nanorods were grown via a seed-mediated hydrothermal synthesis method using a CuO nanoparticle seed layer. The structural, optical, and photoelectrochemical properties of the prepared CuO thin film and nanorods were comparatively examined. Our results confirmed that the CuO nanorod photocathode has a higher photocurrent density and better photoconversion efficiency than the CuO thin film photocathode for photoelectrochemical water splitting, implying a promising route to the fabrication of CuO-based photoelectrodes.

Electrochemical oxidation and reduction reactions are fundamental in various conversion and energy storage devices. Functional materials derived from MOFs have been considered promising as electrical catalysts for ORR, HER, and OER, which can be used in Zinc-air batteries and water electrolysis. Herein, we designed a novel approach to fabricating the ultrafine Co9S8 embedded nitrogen-doped hollow carbon nanocages ( Co9S8@N-HC). The method involved a process of sulfidation of cobalt-based metal–organic frameworks (ZIF67) and then coating them with polypyrrole (PPy). PPy has notable properties such as high electrical conductivity and abundant nitrogen content, rendering it highly promising for catalytic applications. The Co9S8@ N-HC catalyst was successfully synthesized via the carbonization of CoSx@ PPy. Remarkably, the Co9S8@ N-HC catalyst demonstrated exceptional electrocatalytic activity, requiring only low overpotentials of 285 mV and 201 mV at 10 mA cm‒ 2 for OER and HER, respectively, and exhibited high activity for ORR, with an onset potential ( Eonset) of 0.923 V and half-wave potential ( E1/2) of 0.879 V in alkaline media. The electrocatalytic efficiency displayed by Co9S8@ N-HC opens a new line of research on the synergistic effect of MOF-PPy materials on energy storage and conversion.

Flexible electrodes, particularly paper electrodes modified with polypyrrole, have shown promise in energy-related applications. We have earlier demonstrated the usage of paper electrodes modified with polypyrrole as a flexible and suitable photoanode for photoelectrochemical water splitting (PEC). Further, modification of this electrode system with an appropriate tandem absorber system for solar fuel production is interesting in developing efficient photoanodes. In this study, we study the PEC performance of flexible polypyrrole-based paper photoanodes (PPy-PAs) by decorating them with rGO@Cu2Zn- SnS4 chalcopyrites (rGO@CZTS/PPy-PAs). The lower bandgap (~ 1.5 eV) of the rGO@CZTS/PPy-PAs system allows for efficient visible light absorption, substantially improving PEC water-splitting reactions. The rGO@CZTS/PPy-PAs exhibited an enhanced current density of ~ 13.2 mA/cm2 at 1.23 V vs RHE, ABPE of ~ 1.5%, and a hydrogen evolution rate of 177 μmoles/min/cm2. Overall, rGO@CZTS/PPy-PAs showed 2.1-fold, 1.1-fold, and 1.4-fold enhancement in photocurrent activity over PPy-PAs, CZTS/PPy-PAs, and rGO/PPy-PAs, respectively. The usability of rGO@CZTS/PPy-PAs is established in the form of stable photocurrent for more than 200 min. These findings open new possibilities for developing modified PPy PAs as flexible PEs for efficient solar-driven PEC devices and give directions on improving flexible PEs for flexible and efficient solar-driven PEC systems.

In this study, we undertook detailed experiments to increase hydrogen production efficiency by optimizing the thickness of titanium dioxide (TiO2) thin films. TiO2 films were deposited on p-type silicon (Si) wafers using atomic layer deposition (ALD) technology. The main goal was to identify the optimal thickness of TiO2 film that would maximize hydrogen production efficiency while maintaining stable operating conditions. The photoelectrochemical (PEC) properties of the TiO2 films of different thicknesses were evaluated using open circuit potential (OCP) and linear sweep voltammetry (LSV) analysis. These techniques play a pivotal role in evaluating the electrochemical behavior and photoactivity of semiconductor materials in PEC systems. Our results showed photovoltage tended to improve with increasing thickness of TiO2 deposition. However, this improvement was observed to plateau and eventually decline when the thickness exceeded 1.5 nm, showing a correlation between charge transfer efficiency and tunneling. On the other hand, LSV analysis showed bare Si had the greatest efficiency, and that the deposition of TiO2 caused a positive change in the formation of photovoltage, but was not optimal. We show that oxide tunneling-capable TiO2 film thicknesses of 1~2 nm have the potential to improve the efficiency of PEC hydrogen production systems. This study not only reveals the complex relationship between film thickness and PEC performance, but also enabled greater efficiency and set a benchmark for future research aimed at developing sustainable hydrogen production technologies.

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.

Environmental issues such as global warming due to fossil fuel use are now major worldwide concerns, and interest in renewable and clean energy is growing. Of the various types of renewable energy, green hydrogen energy has recently attracted attention because of its eco-friendly and high-energy density. Electrochemical water splitting is considered a pollution-free means of producing clean hydrogen and oxygen and in large quantities. The development of non-noble electrocatalysts with low cost and high performance in water splitting has also attracted considerable attention. In this study, we successfully synthesized a NiCo2O4/NF electrode for an oxygen evolution reaction in alkaline water splitting using a hydrothermal method, which was followed by post-heat treatment. The effects of heat treatment on the electrochemical performance of the electrodes were evaluated under different heat-treatment conditions. The optimized NCO/NF-300 electrode showed an overpotential of 416 mV at a high current density of 50 mA/cm2 and a low Tafel slope (49.06 mV dec-1). It also showed excellent stability (due to the large surface area) and the lowest charge transfer resistance (12.59 Ω). The results suggested that our noble-metal free electrodes have great potential for use in developing alkaline electrolysis systems.

광전기화학 성능을 향상시키기 위해 각 ZnO, ZnSe과 g-C3N4 소재의 장점을 살리도록 3성분계 적층 구조를 디자 인했다. 용액공정으로 FTO 기판위에서 ZnO 나노로드 어레이가 성장하도록 한 후 ZnO표면에 Se을 부착시켜 ZnO표면에 서 ZnSe층이 형성 되도록 이온 치환법을 도입하였다. ZnO/ZnSe 나노로드 위에 g-C3N4 층을 스핀코팅 한 후 각 층이 화 학적 접합이 되도록 질소 분위기 하에서 열처리를 하였다. AM 1.5G, 0.5 V 외부전압하에서 각 적층구조별로 광전기화학 적 전류밀도를 측정하였고 비교 결과 ZnO/ZnSe/g-C3N4 나노로드가 ZnO 및 ZnO/ZnSe 나노로드에 비하여 보다 높은 광 전류 밀도가 측정되었다. 수직 정렬된 ZnO 육각 프리즘형태는 큰 비표면적과 축 방향을 따라 전자 흐름을 원활히 하고, ZnSe 층은 비표면적과 광흡수 범위를 더욱 넗히는 효과를 가져왔다. 이로 인하여 ZnO/ZnSe/g-C3N4 삼원 접합 전극의 향상된 성능은 가시광선 흡수범위 확장, 전하 분리 강화 및 전자 전도도 향상으로 인한 시너지 효과에 기인되는 것으로 판단된다.

APro, developed by KAERI as a process-based total system performance assessment model, can simulate the radionuclide transport affected by thermal, hydraulic, mechanical and geochemical changes that may occurs in the engineering and natural barriers of a geological disposal system. APro targets a large-scale and heterogeneous 3D system that includes more than 10,000 boreholes located about 500 m underground and hundreds of fractures of different sizes distributed within an area of several km2. Simulating transport and reaction phenomena for such a system through the global implicit approach (GIA) may require considerable computational resources or be intractable in some cases. Therefore, APro adopts the sequential non-iterative approach (SNIA), one of the operator splitting (OS) methods, to separate the mass transport and reaction phenomena into independent problems. By using SNIA, the parallel computation performance in APro with multiple cores is expected to be improved. In this study, the effect of SNIA on the parallel computation performance was analyzed through a simple 1D reactive transport problem. Without SNIA, finite difference equations, discretized from the partial differential equations (PDEs) describing the reactive transport problem, have to be solved at once because all dependent variables are nonlinearly and spatially interconnected through reaction and mass transport terms. When the reaction and mass transport terms are separated through SNIA, the mass transport problem can be converted into independent linear equations for each chemical and the efficient linear system solver can be applied to each linear equation. In particular, since the reaction problem is changed to independent nonlinear equations for each node, the parallel computation performance can be greatly improved. To verify this, the 1D reactive transport problem was implemented in MATLAB, and SNIA and GIA were applied to solve the problem. As a result, there was no significant difference in results between SNIA and GIA for proper spatial and temporal discretization, which verified the accuracy of SNIA. In order to see the parallel computation performance, the calculation times for SNIA and GIA with increasing number of cores were measured and compared. As the number of cores increased, the SNIA calculation speed became faster than that of GIA, which verified that SNIA could improve parallel computation performance in APro. In the future, the effect of SNIA on the parallel computation performance will be verified for the numerical analysis of large-scale geological disposal systems.

Hongdae, the region of Hongik University, has been the ‘must visit’ region in Seoul for decades, due to its aggregate of young Korean culture. Food, fashion, and music distinguishes the area from other regions of Seoul, creating the ‘The Feel of Hongdae’, the unique community brand. This research investigates urban condition of this region, trying to find how architecture affected its market. Architectural analysis of its urban interface resulted that former multi-family houses converted into shops benefited from its multi-level façade exposed to street, maximizing the accessibility to potential customers. The economic analysis of semi-basement floor and raised first(ground) floor shows buildings along Wausan-ro double up the ‘ground level’ shop values. Small no-brand shops in converted and split shops had been building the Hongdae community brand, transformed the building condition adapted to the market; adding external stairs, offering optimized store size to each level and optimized location of each shopping type. The analysis of economic value of split store properties reveals inter-relationships between shop sizes, stair locations, uses and the commercial value of the building, which presents how to maximize the commercial value of the street, while retaining the community brand, slowing down gentrification of the region.

We report on the fabrication and photoelectrochemical(PEC) properties of a Cu2O thin film/ZnO nanorod array oxide p-n heterojunction structure with ZnO nanorods embedded in Cu2O thin film as an efficient photoelectrode for solardriven water splitting. A vertically oriented n-type ZnO nanorod array was first prepared on an indium-tin-oxide-coated glass substrate via a seed-mediated hydrothermal synthesis method and then a p-type Cu2O thin film was directly electrodeposited onto the vertically oriented ZnO nanorods array to form an oxide semiconductor heterostructure. The crystalline phases and morphologies of the heterojunction materials were characterized using X-ray diffraction and scanning electron microscopy as well as Raman scattering. The PEC properties of the fabricated Cu2O/ZnO p-n heterojunction photoelectrode were evaluated by photocurrent conversion efficiency measurements under white light illumination. From the observed PEC current density versus voltage (J-V) behavior, the Cu2O/ZnO photoelectrode was found to exhibit a negligible dark current and high photocurrent density, e.g., 0.77 mA/cm2 at 0.5 V vs Hg/HgCl2 in a 1 mM Na2SO4 electrolyte, revealing an effective operation of the oxide heterostructure. In particular, a significant PEC performance was observed even at an applied bias of 0 V vs Hg/ HgCl2, which made the device self-powered. The observed PEC performance was attributed to some synergistic effect of the p-n bilayer heterostructure on the formation of a built-in potential, including the light absorption and separation processes of photoinduced charge carriers.

We report facile solution processing of mesoporous hematite (α-Fe2O3) thin films for high efficiency solar-driven water splitting. Fe2O3 thin films were prepared on fluorine doped tin oxide(FTO) conducting substrates by spin coating of a precursor solution followed by annealing at 550 oC for 30 min. in air ambient. Specifically, the precursor solution was prepared by dissolving non-toxic FeCl3 as an Fe source in highly versatile dimethyl sulfoxide(DMSO) as a solvent. The as-deposited and annealed thin films were characterized for their morphological, structural and optical properties using field-emission scanning electron microscopy(FE-SEM), X-ray diffraction(XRD), X-ray photoelectron spectroscopy(XPS) and UV-Vis absorption spectroscopy. The photoelectrochemical performance of the precursor (α-FeOOH) and annealed (α-Fe2O3) films were characterized and it was found that the α-Fe2O3 film exhibited an increased photocurrent density of ~0.78 mA/cm2 at 1.23 V vs. RHE, which is about 3.4 times higher than that of the α-FeOOH films (0.23 mA/cm2 at 1.23 V vs. RHE). The improved performance can be attributed to the improved crystallinity and porosity of α-Fe2O3 thin films after annealing treatment at higher temperatures. Detailed electrical characterization was further carried out to elucidate the enhanced PEC performance of α-Fe2O3 thin films.

We report on the fabrication and characterization of a novel Cu2O/CuO heterojunction structure with CuO nanorods embedded in Cu2O thin film as an efficient photocathode for photoelectrochemical (PEC) solar water splitting. A CuO nanorod array was first prepared on an indium-tin-oxide-coated glass substrate via a seed-mediated hydrothermal synthesis method; then, a Cu2O thin film was electrodeposited onto the CuO nanorod array to form an oxide semiconductor heterostructure. The crystalline phases and morphologies of the heterojunction materials were examined using X-ray diffraction and scanning electron microscopy, as well as Raman scattering. The PEC properties of the fabricated Cu2O/CuO heterojunction photocathode were evaluated by photocurrent conversion efficiency measurements under white light illumination. From the observed PEC current density versus voltage (J-V) behavior, the Cu2O/CuO photocathode was found to exhibit negligible dark current and high photocurrent density, e.g. −1.05 mA/cm2 at −0.6 V vs. Hg/HgCl2 in 1 mM Na2SO4 electrolyte, revealing the effective operation of the oxide heterostructure. The photocurrent conversion efficiency of the Cu2O/CuO photocathode was estimated to be 1.27% at −0.6 V vs. Hg/HgCl2. Moreover, the PEC current density versus time (J-T) profile measured at −0.5 V vs. Hg/HgCl2 on the Cu2O/CuO photocathode indicated a 3-fold increase in the photocurrent density compared to that of a simple Cu2O thin film photocathode. The improved PEC performance was attributed to a certain synergistic effect of the bilayer heterostructure on the light absorption and electron-hole recombination processes.

Quaternary amonium salts are used as anion-exchange and also easily decomposed due to their intrinsic structural instability. These drawbacks have limited the long-term utilization of the membranes. The objectives of this study are to synthesize high performance anion-exchange membranes and to investigate their electrochemical properties The new membranes were prepared via a monomer sorption method. Their morphological and electrochemical properties have been investigated through various analyses. While the accumulated water-splitting flux of the commercial membrane containing conventional quaternary ammonium groups was shown to largely increase with time, theirs of the new membrane was shown without significant change.