The lattice oxygen mechanism (LOM) is considered one of the promising approaches to overcome the sluggish oxygen evolution reaction (OER), bypassing -OOH* coordination with a high energetic barrier. Activated lattice oxygen can participate in the OER as a reactant and enables O*-O* coupling for direct O2 formation. However, such reaction kinetics inevitably include the generation of oxygen vacancies, which leads to structural degradation, and eventually shortens the lifetime of catalysts. Here, we demonstrate that Se incorporation significantly enhances OER performance and the stability of NiFe (oxy)hydroxide (NiFe) which follows the LOM pathway. In Se introduced NiFe (NiFeSe), Se forms not only metal-Se bonding but also Se-oxygen bonding by replacing oxygen sites and metal sites, respectively. As a result, transition metals show reduced valence states while oxygen shows less reduced valence states (O-/O2 2-) which is a clear evidence of lattice oxygen activation. By virtue of its electronic structure modulation, NiFeSe shows enhanced OER activity and long-term stability with robust active lattice oxygen compared to NiFe.

A Cu-15Ag-5P filler metal (BCuP-5) is fabricated on a Ag substrate using a high-velocity oxygen fuel (HVOF) thermal spray process, followed by post-heat treatment (300oC for 1 h and 400oC for 1 h) of the HVOF coating layers to control its microstructure and mechanical properties. Additionally, the microstructure and mechanical properties are evaluated according to the post-heat treatment conditions. The porosity of the heat-treated coating layers are significantly reduced to less than half those of the as-sprayed coating layer, and the pore shape changes to a spherical shape. The constituent phases of the coating layers are Cu, Ag, and Cu-Ag-Cu3P eutectic, which is identical to the initial powder feedstock. A more uniform microstructure is obtained as the heat-treatment temperature increases. The hardness of the coating layer is 154.6 Hv (as-sprayed), 161.2 Hv (300oC for 1 h), and 167.0 Hv (400oC for 1 h), which increases with increasing heat-treatment temperature, and is 2.35 times higher than that of the conventional cast alloy. As a result of the pull-out test, loss or separation of the coating layer rarely occurs in the heat-treated coating layer.

본 연구는 비산소 분쇄 및 포장이 해조류 분말의 색도, 항산화활성 및 미생물 수에 미치는 영향을 조사하였다. 대조구로는 산소 조건하에서 분쇄 및 포장을 진행하였다. 색도는 대조구가 저장기간이 지남에 따라 L값과 b값은 감소하고 a값이 증가하여 갈변현상이 일어나는 것을 확인하였다. 또한, 총 페놀함량 (9.8~8.0mg GAE/100g dw), DPPH (12.57~11.00mg BHAE/100g dw), ABTS (13~8.4mg AAE/100g dw) 및 FRAP (11.2~8.0mg Fe(II)/100g dw)활성이 모두 감소하는 것으로 나타났다. 반면에, 진공-질소치환에 의한 비산소 분쇄 및 포장의 경우 유의적으로 차이가 없는 것으로 나타났다. 미생물수는 대장균군, 일반세균수, 효모 및 곰팡이를 분석하였고 대장균군과 곰팡이는 모든 샘플에서 불검출되었다. 대조구는 0~8주차에서 일반세균수와 효모가 각각 1.52~1.96 log CFU/g, 0~1.77 log CFU/g으로 증가하는 것으로 나타났다. 비산소 분쇄 및 포장 조건은 0~8주차에서 일반세균수와 효모가 각각 1.52~1.53 log CFU/g, 0~1.25 log CFU/g으로 각각 나타나 일반세균수는 유의적으로 차이가 없었으나 효모는 약간 증가한 것으로 나타났다. 따라서, 색도유지, 높은 총 페놀함량 및 항산화 활성 유지, 일반세균 및 효모의 성장 억제를 위해서는 진공-질소치환에 의한 비산소 분쇄 및 포장 조건하에서 품질특성과 미생물수를 유지하는데 효과적일 것으로 판단된다.

Novel Ni- and Fe-based alloys are developed to impart improved mechanical properties and corrosion resistance. The designed alloys are manufactured as a powder and deposited on a steel substrate using a high-velocity oxygen-fuel process. The coating layer demonstrates good corrosion resistance, and the thus-formed passive film is beneficial because of the Cr contained in the alloy system. Furthermore, during low-temperature heat treatment, factors that deteriorate the properties and which may arise during high-temperature heat treatment, are avoided. For the heattreated coating layers, the hardness increases by up to 32% and the corrosion resistance improves. The influence of the heat treatment is investigated through various methods and is considered to enhance the mechanical properties and corrosion resistance of the coating layer.

In this study, a new manufacturing process for a multilayer-clad electrical contact material is suggested. A thin and dense BCuP-5 (Cu-15Ag-5P filler metal) coating layer is fabricated on a Ag plate using a high-velocity oxygen-fuel (HVOF) process. Subsequently, the microstructure and bonding properties of the HVOF BCuP-5 coating layer are evaluated. The thickness of the HVOF BCuP-5 coating layer is determined as 34.8 μm, and the surface fluctuation is measured as approximately 3.2 μm. The microstructure of the coating layer is composed of Cu, Ag, and Cu-Ag-Cu3P ternary eutectic phases, similar to the initial BCuP-5 powder feedstock. The average hardness of the coating layer is 154.6 HV, which is confirmed to be higher than that of the conventional BCuP-5 alloy. The pull-off strength of the Ag/BCup-5 layer is determined as 21.6 MPa. Thus, the possibility of manufacturing a multilayer-clad electrical contact material using the HVOF process is also discussed.

Electrochemical water splitting is an important process for next generation of eco-friendly energy systems. The oxygen evolution reaction (OER), which occurs at an anode during the process, requires efficient electrocatalysts to reduce activation energies. Although Ru- or Ir-containing materials show excellent electrocatalytic activities, their high cost is a critical drawback. Consequently, the development of efficient electrocatalysts composed of low-cost metal components is a great challenge. In this study, we develop a new route to produce a hybrid material (Fe–NC) containing Fe3C particles dispersed on the surface of N-doped carbon (NC) materials by heat treatment of a mixture of urea and Fe(II)Cl2(H2O)4. Microscopic analyses prove that the Fe3C particles are placed on the surfaces of thin NC materials. Additionally, various characterizations reveal that the particles contain Fe3C structure. Fe–NC shows good electrocatalytic properties with onset and overpotentials of 1.57 V and 545 mV, respectively, for OER in KOH electrolyte. This study suggests the possibility of the use of Fe3C- based composites as OER electrocatalysts.

In KAERI, the nuclide management technology is currently being developed for the reduction of disposal area required for spent fuel management. Among the all fission products of interest, Cs, I, Kr, Tc are considered to be significantly removed by following mid-temperature and high-temperature treatment, however, a difficulty of spent-fuel thermal treatment experiment limits the development of such thermal treatment. In this study, we applied our previously developed two-stage diffusion release model coupled to UO2 oxidation model to the development of optima thermal treatment scenario. Since the formation of cesium pertechnetate should be avoided and the fission release behavior is considerably affected by the extent of oxygen, we obtained oxygen-content dependent model parameters for two-stage fission release model and applied the model to the evaluation of fission release behavior to different oxygen content and thermal treatment procedure. It was found that the developed fission release model closely describes the experimental behavior of fission product of interest, implying a validity of model prediction and the thermal treatment condition reducing the chemical reaction between cesium and technetium could be developed.

Plant-derived compounds have been reported to possess anti-inflammatory abilities contained inhibited β-hexosaminidase, ROS and NO release. Essential oils are natural volatile complex compounds that are characterized by a strong scent and produced by aromatic plants as various plant-derived compounds. The essential oil extracted from Zanthoxylum coreanum Nakai (Z. coreanum) has various functional properties; however, little information is available regarding its anti-allergic inflammatory. A total of 17 compounds were detected in Z. coreanum oil, and the main component was estragole (50.86%). The tested Z. coreanum oil and estragole statistically inhibited the release of β-hexosaminidase induced by antigen stimulation in RBL-2H3 cells. This Z. coreanum oil and estragole may stimulate the secretion of active oxygen (ROS) or nitric oxide (NO) which are considered to involved in anti-inflammatory events. Moreover, it is suggested that Z. coreanum oil and estragole may negatively control the production of SNARE proteins (VAMP7) at the tran-scriptional and translational levels in common. These results demonstrate that Z. coreanum oil and its major component, estragole, possess potent anti-inflammatory abilities that are coupled with antioxidant properties.

본 연구에서는 진해만의 DO 농도 재현을 목표로 LSTM 모형의 최적 매개변수 조건과 예측변수를 선별하기 위한 Case study를 진행하였다. 모형 매개변수 Case study 결과, 가장 적은 Hidden node와 Epoch인 Hidden node=10, Epoch=100에서 가장 낮은 정확도를 보였다. 이는 모형이 과소적합(Underfitting) 상태인 것으로 판단된다. Hidden node=80, Epoch=1200에서 R2 값은 0.99로 가장 높은 정확도를 보였다. 예 측변수 Case study 결과, 1개의 환경변수만을 예측변수로 사용한 Step 1에서 수온을 예측변수로 했을 때 저층 DO 농도 재현의 R2 값은 0.81 로 가장 높은 정확도를 보였다. 이후 2개의 환경변수를 사용한 Step 2에서는 수온과 SiO2를 예측변수로 했을 때 R2 값은 0.92로 수온만 사 용했을 때보다 정확도가 급격히 증가하였다. 이는 저층 DO 농도와 SiO2 농도간의 높은 상관성(=0.70)에 기인한 것으로 판단된다. 상기 결과로부터 진해만의 DO 농도 재현에 적합한 LSTM 모형의 매개변수와 예측변수를 찾을 수 있었다.

The present study was performed to investigate the effects of NH3-N and nitrifying microorganisms on the increased BOD of downstream of the Yeongsan river in Gwangju. Water samples were collected periodically from the 13 sampling sites of rivers from April to October 2021 to monitor water qualities. In addition, the trends of nitrogenous biochemical oxygen demand (NBOD) and microbial clusters were analyzed by adding different NH3-N concentrations to the water samples. The monitoring results showed that NH3-N concentration in the Yeongsan river was 22 times increased after the inflow of discharged water from the Gwangju 1st public sewage treatment plant (G-1-PSTP). Increased NH3-N elevated NBOD levels through the nitrification process in the river, consequently, it would attribute to the increase of BOD in the Yeongsan river. Meanwhile, there was no proportional relation between NBOD and NH3-N concentrations. However, there was a significant difference in NBOD occurrence by sampling sites. Specifically, when 5 mg/L NH3-N was added, NBOD of the river sample showed 2-4 times higher values after the inflow of discharged water from G-1-PSTP. Therefore, it could be thought other factors such as microorganisms influence the elevated NBOD levels. Through next-generation sequencing analysis, nitrifying microorganisms such as Nitrosomonas, Nitroga, and Nitrospira (Genus) were detected in rivers samples, especially, the proportion of them was the highest in river samples after the inflow of discharged water from G-1-PSTP. These results indicated the effects of nitrifying microorganisms and NH3-N concentrations as important limiting factors on the increased NBOD levels in the rivers. Taken together, comprehensive strategies are needed not only to reduce the NH3-N concentration of discharged water but also to control discharged nitrifying microorganisms to effectively reduce the NBOD levels in the downstream of the Yeongsan river where discharged water from G-1-PSTP flows.

One-step hydrothermal reduction method was used to prepare three-dimensional carbon fiber brush-based graphene–platinum (CFB/Pt–G) composites to improve the electrocatalytic oxygen reduction activity of cathode materials for seawater oxygen-dissolved battery. Characterization results show that the reduced graphene oxide of as-prepared graphene–platinum composite displays the few-layer folded structure. In addition, Pt nanoparticles with the polycrystalline structure dispplay a preferential growth along the crystal plane of (111) and are mainly distributed around the defect cavities of folded graphene. Electrochemical results show that the diffusion-limited current density of CFB/Pt–G composite tested with 1600 rpm/min in 3.5% NaCl solution reaches 5 mA/cm2, while that of CFB/G is only 2.64 mA/cm2. Battery discharge results show that the maximum volume power density of CFB/Pt–G–Mg battery with a stable open voltage of 1.73 V is 81 times as much as the commercial seawater battery SWB1200.

범밀도이론함수(Density Functional Theory, DFT) 기반의 제일원리전산모사는 기저상태의 DFT 에너지를 구하는데 많은 시간소요 및 전산자원을 소모하였다. 이러한 막대한 전산자원의 소모는 DFT 계산에서 고려할 원자수를 수 백개 이 하로 제한되게 되었으며, 이를 해결하기 위해서는 전자구조 계산이 아닌 원자의 환경 내에 원자간 상호작용을 정의 (Force Field, 힘장)하고 이를 통해 주어진 조성 혹은 구조에 따른 에너지를 빠르게 예측 할 수 있어야 한다. 본 논문에서 는 Behler-Parrinello가 제시한 인공신경망 모델을 활용해 인공지능 다원계 힘장을 개발하고 코발트-구리 산화물의 조성에 따른 에너지를 예측하고 안정한 구조를 탐색하는 연구를 수행하였다. 인공신경망 기술로 부터 구리-코발트 산화물에 대 해 15.7 meV/atom의 에너지 오차와 단위거리당 힘 103.6 meV/Å의 정확도를 가지는 인공신경망 포텐셜을 개발하였다. 이 방법으로 빠르고 정확하게 CuCoO 표면구조의 산소 결함률에 따른 생성에너지를 계산할 수 있었고, 에너지 컨벡스 홀을 도시 조성에 따른 안정한 구조를 예측하였다.

Metal–organic frameworks (MOFs) are widely used as supports for single-atom catalysts (SACs) owing to their high specific surface area, porosity, and ordered metal–ligand structure. Their activity can be increased by increasing the number of electrochemically accessible active sites via the formation of atomically dispersed metal catalysts (M–Nx) that coordinate with nitrogen atoms on the MOF. Herein, we introduce the relationship between the size of the MOF as a starting material and the catalytic activity for the oxygen reduction reaction in alkaline media. The morphology and features of the MOFs are critically dependent on their size. Remarkably, cage-like MOFs below 33 nm are converted into collapsed structures and are connected between each MOF, even carbon fiber- or tube-like features, after carbonization. SACs derived from medium-sized MOFs exhibit excellent activity and are comparable to commercial Pt/C catalysts owing to their porous structure. Therefore, we believed that controlling the size of MOFs containing active atoms is an effective method of modulating the morphological properties of the support and even the number of active sites that are closely related to the activity.

A new Fe-Cr-Mo-B-C amorphous alloy is designed, which offers high mechanical strength, corrosion resistance as well as high glass-forming ability and its gas-atomized amorphous powder is deposited on an ASTM A213-T91 steel substrate using the high-velocity oxygen fuel (HVOF) process. The hybrid coating layer, consisting of nanocrystalline and amorphous phases, exhibits strong bonding features with the substrate, without revealing significant pore formation. By the coating process, it is possible to obtain a dense structure in which pores are hardly observed not only inside the coating layer but also at the interface between the coating layer and the substrate. The coating layer exhibits good adhesive strength as well as good wear resistance, making it suitable for coating layers for biomass applications.

Cr thin films with O added are deposited on sapphire substrate by DC sputtering and are nitrided in NH3 atmosphere between 300 and 900 oC for various times. X-ray diffraction results show that nitridation begins at 500 oC, forming CrN and Cr2N. Cr oxides of Cr2O3 are formed at 600 oC. And, at temperatures higher than 900 oC, the intermediate materials of Cr2N and Cr2O3 disappear and CrN is dominant. The atomic concentration ratios of Cr and O are 77% and 23%, respectively, over the entire thickness of as-deposited Cr thin film. In the sample nitrided at 600 oC, a CrN layer in which O is substituted with N is formed from the surface to 90 nm, and the concentrations of Cr and N in the layer are 60% and 40%, respectively. For this reason, CrN and Cr2N are distributed in the CrN region, where O is substituted with N by nitridation, and Cr oxynitrides are formed in the region below this. The nitridation process is controlled by inter-diffusion of O and N and the parabolic growth law, with activation energy of 0.69 eV.

Nitrogen-doped carbon dots (N-CDs), derived from the biomass (anthocyanin), are the novel additive to the nanocarbon materials, which is expected to bring a wide spectrum of novel applications. Moreover, metallic oxides are emerging for their unique potential for electrocatalysis. Herein, we report the synthesis of N-CDs for the selective detection of Fe3+ with a limit of detection of 2.57 μM in the range of 5–60 μM using ethylenediamine and H2O2 by a hydrothermal method. The obtained N-CDs displayed a spherical morphology with a particle size range of 2–7 nm and emitted blue luminescence at 394 nm under excitation at 319 nm. Meanwhile, we have demonstrated the fabrication of cost-efficient electrocatalysts for oxygen evolution reaction (OER) in an alkaline medium, employing N-CDs. Owing to the successful incorporation of N-CDs into NiO nanospheres, the resulting N-CDs/NiO with large surface areas, fast charge transfer, and increased conductivity vastly improved the catalytic activity. Remarkably, the optimal of N-CDs/NiO composite requires the overpotential of only 380 mV at a current density of 10 mA cm− 2 and a relatively low Tafel slope of 57.96 mV dec− 1 compared with pure NiO. These results open up a facile route for the application of N-CDs and offer prospects for CD-metal hybrids as high OER catalysts in electrochemical energy devices.

In this study, photocatalytic degradation of ammonia in petrochemical wastewater is investigated by solar light photocatalysis. Two-dimensional ultra-thin atomic layer structured MoS2 are synthesized via a simple hydrothermal method. We examine all prepared samples by means of physical techniques, such as SEM-EDX, HRTEM, FT-IR, BET, XRD, XPS, DRS and PL. And, we use fullerene modified MoS2 nanosheets to enhance the activity of photochemically generated oxygen (PGO) species. Surface area and pore volumes of the MoS2-fullerene samples significantly increase due to the existence of MoS2. And, PGO oxidation of MB, TBA and TMST, causing its concentration in aqueous solution to decrease, is confirmed by the results of PL. The generation of reactive oxygen species is detected through the oxidation reaction from 1,5-diphenyl carbazide (DPCI) to 1,5-diphenyl carbazone (DPCO). It is found that the photocurrent density and the PGO effect increase in the case with modified fullerene. The experimental results show that this heterogeneous catalyst has a degradation of 88.43% achieved through visible light irradiation. The product for the degradation of NH3 is identified as N2, but not NO2−or NO3−.