• Korean Chemical Engineering Research
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• 제61권2호
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• pp.328-339
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• 2023

Methanol steam reforming (MSR) is a promising method for hydrogen supplying as a critical step in hydrogen fuel cell commercialization in mobile applications. Modelling and understanding of the reactor behavior is an attractive research field to develop an efficient reformer. Three-layer feed-forward artificial neural network (ANN) and Box-Behnken design (BBD) were used to modelling of MSR process using the Cu-SiO₂ aerogel catalyst. Furthermore, impacts of the basic operational variables and their mutual interactions were studied. The results showed that the most affecting parameters were the reaction temperature (56%) and its quadratic term (20.5%). In addition, it was also found that the interaction between temperature and Steam/Methanol ratio is important on the MSR performance. These models precisely predict MSR performance and have great agreement with experimental results. However, on the basis of statistical criteria the ANN technique showed the greater modelling ability as compared with statistical BBD approach.

• 한국콘텐츠학회논문지
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• 제21권6호
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• pp.306-317
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• 2021

미국, 유럽, 중국, 일본 등 주요 선진국은 탄소 경제에서 수소 경제로의 전환을 위해 다양한 수소 경제 정책을 발표하며 연구역량을 집중하고 있다. 우리나라도 이러한 추세에 발맞추어 2019년 초 수소 경제 활성화 로드맵을 발표한 이래로 수소 경제 관련 법안을 마련하고 지원책을 실시하고 있다. 본 연구에서는 국가과학기술지식정보서비스(NTIS)의 국가R&D과제정보 최근 10년치 데이터를 활용해 수소 경제, 그중에서도 전·후방 파급효과가 크다고 할 수 있는 연료전지전기차 관련 R&D 현황과 지식구조를 파악하고자 한다. 연료전지전기차 관련 국가R&D과제(2020년 1월 기준) 1,479개의 원시 데이터를 바탕으로 네트워크 분석 및 텍스트 마이닝을 실시한 결과, 연료전지전기차 분야에서는 수소의 생산, 운반, 저장, 활용의 전 프로세스에 걸친 기술 및 시스템의 연구개발이 활발하게 이루어지고 있는 것으로 나타났다. 본 논문은 해당 연구결과를 통해 현재 연료전지전기차 산업을 선도하고 있는 한국의 수소 경제 관련 정책 수립과 연구개발, 시장 전략에 대해 시사점을 제시한다.

• 대한화학회지
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• 제57권6호
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• pp.721-725
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• 2013

Reaction between 2-pyridinecarboxylic acid (Hpic) and $K_3[Cr(O_2)_4]$ give complex $[Cr(pic)_3].H_2O$ (1) which is characterized by elemental analysis and spectroscopic methods (FT-IR, Raman) and X-ray crystallography. In the crystal structure of 1, chromium atom with coordinated by three nitrogen and three oxygen atoms has a distorted octahedral geometry. Also a water molecule is incorporated in crystal network. Each water molecule acts as hydrogen bond bridging and connects two adjacent complexes by two $O-H{\cdots}O$ hydrogen bonds.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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• pp.107-107
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• 2011

Supramolecular structures of anthraquinone molecules on a metallic surface are studied using scanning tunneling microscope (STM) under ultrahigh-vacuum conditions. When we deposited anthraquinone molecules on Au(111) substrate, the molecules formed three different phases (Chevron type, tetragon type and disordered type) on the surface. Based on our STM measurements, we proposed models for the observed molecular structures. Chevrons are consisted of several molecular chains, which make well-ordered two-dimensional islands by some weak interrow interactions and we could observe tetragon structures which make array of (111) metallic surface. each molecular rows in the chevrons are stabilized by two parallel O-H hydrogen bonds and disordered structures are observed 1-dimensional phase with hydrogen bond. First-principles calculations based on density functional theory are performed to reproduce the proposed models. Distances and energy gains for each intermolecular bond are estimated. In this presentation, we explain possible origins of these molecular structures in terms of hydrogen bonds, Van der Waals interactions and molecule-substrate interactions.

• 한국세라믹학회지
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• 제54권6호
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• pp.535-538
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• 2017

Here we report the tunable electrical properties and chemical sensor of single-walled carbon nanotubes (SWCNTs) network-based devices with a functionalization technique. Formation of highly aligned SWCNT structures is made on $SiO_2/Si$ substrates using a template-based fluidic assembly process. We present a Platinum (Pt)-nanocluster decoration technique that reduces the resistivity of SWCNT network-based devices. This indicates the conversion of the semiconducting SWCNTs into metallic ones. In addition, we present the Hydrogen Sulfide ($H_2S$) gas detection by a redox reaction based on SWCNT networks functionalized with 2,2,6,6-Tetramethylpiperidine-1-oxyl (TEMPO) as a catalyst. We summarize current changes of devices resulting from the redox reactions in the presence of $H_2S$. The semiconducting (s)-SWCNT device functionalized with TEMPO shows high gas response of 420% at 60% humidity level compared to 140% gas response without TEMPO functionalization, which is about 3 times higher than bare s-SWCNT sensor at the same RH. These results reflect promising perspectives for real-time monitoring of $H_2S$ gases with high gas response and low power consumption.

• Elastomers and Composites
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• 제45권3호
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• pp.165-169
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• 2010

최근에 기존 고무의 장점인 유연성과 충전제에 의한 다양한 기능성과 열가소성 고무의 장점인 리싸이틀 및 성형의 용이성을 동시에 갖춘 초분자 네트워크형 열가역성 가교 탄성체가 소개되고 있다. 수소 결합과 이온 클러스터간의 결합력과 같은 열가역성 결합은 1990년부터 소개되었지만, 초분자 네트워크에서 가교 구조의 결합과 절단을 조절할 수 있는 기술이 시도된 것은 최근의 기술적 성과이다. 본 보문에서는 열가소성 탄성체의 용융 특성과 가교 탄성체의 보강 거동을 가지는 열가역성 가교 탄성체의 특징들을 정리하였다.

• 대한화학회지
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• 제47권4호
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• pp.334-338
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• 2003

$[Co(phen)_2(Cl)(H_2O)] Clㆍ2H_2O$(phen=1,10-phenanthroline)의 결정구조는 X-ray에 의하여 결정되었다. 그 결정은 a=9.662(2), b=11.445(1), c=13.037(2)${\AA}$ ${\alpha}$=64.02(1), ${\beta}$=86.364(9), ${\gamma}=78.58(2)^°$ 그리고 Z=2의 격자인자를 갖는 triclinic계와 space group이 P1의 구조로 결정화 되었다. 배위된 양이온은 두개의 Phen 리간드, 하나의 chloride이온과 하나의 $H_2O$ 리간드가 cis 배열로 킬레이크된 6배위 코발트 원자가 포함된다. 코발트에 배위된 chloride에 더해서, 결정구조를 이루는 하나의 chloride이온과 네개의 물분자가 있다. 고체상태에서, 제목의 화합물은 수소결합을 통하여 3차원 그물구조를 갖는다.

• 한국자기공명학회논문지
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• 제11권2호
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• pp.64-72
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• 2007

[ $^1H$ ] nuclear magnetic resonance (NMR) experiments have been performed at 30 - 300 K and 7 T to investigate dynamics of hydrogen bond network in the single crystal $(NH_4)_3H(SO_4)_2$. The two proton sites, ammonium proton and hydrogen-bond proton, are identified from the $^1H$ NMR MAS spectrum at 340 K. As temperature decreases, the $^1H$ NMR spectrum shifts to the higher frequency side with a larger linewidth. The spectrum at 65 K shows a distinctive change in line shape toward the ferroelectric transition at 63 K. The measured values of $T_1$ for ammonium and hydrogen-bond protons are similar in the whole range of temperature. $T_1$ of $^1H$ NMR shows a gradual decrease down to 120 K and starts to steeply increase below 100 K. Then $T_1$ shows abrupt decrease below 70 K with a sharp minimum at 63 K, where the ferroelectric transition occurs. This temperature dependence of spectrum and $T_1$ clearly prove that the large change in the dynamics of hydrogen bond network is associated with the ferroelectric phase transition at 63 K.

• Journal of Microbiology and Biotechnology
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• 제8권2호
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• pp.158-164
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• 1998

Crystal structural analyses of the API-TLCK complex revealed that the ${\epsilon}$-amino group (NZ) of the lysyl part of TLCK forms hydrogen bonds with OD1 of $Asp^225$ which is a substrate specificity determinant of API, OG of $Ser^214$, O of $Ser^214$, OG1 of $Thr^189$, and O of $Thr^189$ l89/. The ${\beta}$-carboxyl oxygen of $Asp^225$ forms hydrogen bonds with the NE1 of $Trp^182$. From these observations, it is thought that besides $Asp^225$, $Thr^189$, $Ser^214$, and $Trp^182$ may also contribute to the steric specificity for lysine and high proteolytic activity of API. The side-chain hydroxyl groups of $Thr^189$ and $Ser^214$ were removed to elucidate the role of these hydrogen bonds in the $S_1$-pocket. The $k_{cat}$/$K_m$ of T189V, S214A, and T189V.S214A were decreased to 1/4, 1/3, and 1/46, respectively, of the value for native API. The decreased activities were mainly due to the increase of $K_m$. The CD and fluoroscence spectra of the three mutants were similar to those of wild-type API. With regards to the kinetic parameters ($K_i\;and\;k_2$) of mutants for the reaction involving TLCK and DFP, $k_2$decreased by increase of $K_1$ only. These results suggest that the decreased catalytic activity of these mutants is caused by the partial loss of the hydrogen bond network in the $S_1$-pocket. On the other hand, the similarity of enzymatic properties between W182F and the native enzyme suggests that the hydrogen bond between OD2 of $Asp^225$ and NE1 of $Trp^182$ is not directly related to the reaction of $Asp^225$ with the substrate.

• Bulletin of the Korean Chemical Society
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• 제32권12호
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• pp.4392-4396
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• 2011

Porous silicon with a complex network of nanopores is utilized for photoelectrochemical energy conversion. A novel electroless Pt deposition onto porous silicon is investigated in the context of photoelectrochemical hydrogen generation. The electroless Pt deposition is shown to improve the characteristics of the PS photoelectrode toward photoelectrochemical $H^+$ reduction, though excessive Pt deposition leads to decrease of photocurrent. Furthermore, it is found that a thin layer (< 10 ${\mu}m$) of porous silicon can serve as anti-reflection layer for the underlying Si substrate, improving photocurrent by reducing photon reflection at the Si/liquid interface. However, as the thickness of the porous silicon increases, the surface recombination on the dramatically increased interface area of the porous silicon begins to dominate, diminishing the photocurrent.