• Mass Spectrometry Letters
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• 제8권2호
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• pp.44-47
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• 2017

Isothiazolinone derivatives are widely used in consumer products as disinfectants or preservatives, but there are growing concerns about their impact on human health. Therefore, rapid screening of these biocides is very important for proper control and regulation of potentially hazardous substances. To this end, low-temperature plasma (LTP) ionization mass spectrometry (MS) was investigated to demonstrate its potential for direct and selective analysis of isothiazolinones from sprayed aerosol samples. Benzisothiazolinone (BIT) was clearly identified from a commercial fabric deodorant using LTP ionization MS and MS/MS. LTP allowed selective ionization of BIT directly from the simply sprayed aerosol sample and illustrated its potential for fast screening without sample pre-treatments. Selective nature of LTP ionization, on the other hands, implicates use of LTP ionization MS as a general screening method for specific groups of hazardous chemicals in commercial products.

• 한국표면공학회지
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• 제29권5호
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• pp.570-576
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• 1996

Cu films for future ULSI metallization were prepared by partially ionized beam (PIB) deposition and characterized in terms of preferred orientation, grain size, roughness and resistivity. PIB-Cu films were prepared on Si (100) at pressure of $8 \times 10^{-7}$~$1 \times 10^{-6}$ Torr. Effects of acceleration voltage and ionization potential on the properties of PIB-Cu films have been investigated. As the acceleration voltage increased at constant ionization potential of 400 V, the degree of preferred orientation and surface smoothness of the Cu film increased. At the ionization potential of 450 V, the degree of preferred orientation at the acceleration voltage higher than 2 kV decreased and surface roughness increased with acceleration voltage. Grain size of Cu films increased to 1100 $\AA$ initially up to applied acceleration voltage of 1 kV, above which a little increase occurred with the acceleration voltage. There was no indication of impurities such as C, O in all sample. Resistivity of Cu film had the same trends as the surface roughness with acceleration voltage and ionization potential. The increase of electrical resistivity of PIB-Cu films was explained in terms of grain size and surface roughness

• 한국진공학회:학술대회논문집
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• 한국진공학회 1995년도 제8회 학술발표회 논문개요집
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• pp.68-68
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• 1995

• 한국조명전기설비학회:학술대회논문집
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• 한국조명전기설비학회 2008년도 추계학술대회 논문집
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• pp.337-340
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• 2008

When high surge voltage invaded into the ground rod contacted with ground water, the ionization phenomena are happened in the water. Although some researchers have surveyed the ionization phenomena in soil, they have just analyzed the variation of the ground resistance. The most important role of the ground rod is to elect human beings from potential rise and to dissipate energy to the earth safely. In this wort we presented the method evaluating the potential reduction and energy dispersion. Also we analyzed theses factors as a function of charging voltages at the water resistivity of $50\;{\Omega}{\cdot}m$ using the Matlab Program. As a result the ground rod potential was reduced to 38 kV by ionization just below breakdown voltage. The energy more than half of the total injected energy was dispersed through the grounding electrode caused due to ionization.

• 조명전기설비학회논문지
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• 제23권1호
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• pp.92-99
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• 2009

심매설 접지봉의 경우 장마철에 빗물이나 지하수와 접촉하는 경우가 발생한다. 수중에 잠겨있는 접지극에 서지 전압이 인가되면 접지극 주변에서 이온화 현상이 발생하게 된다. 지중이나 수중에서의 이온화 현상은 접지 시스템의 에너지적인 특성에 의해 영향을 받는다. 이 논문의 목적은 축소된 전해 수조를 이용하여 임펄스 전압에 의한 접지시스템의 과도특성을 파악하는데 있다. 매틀랩 프로그램을 활용하여 이온화에 의한 전위저감과 방출된 에너지를 측정하여 정량적인 분석을 수행하였다. 접지극 끝단의 최대 전압은 물의 저항률과 Marx형 전압발생장치의 충전전압에 따라 다양하게 나타났다. 접지극 끝단의 전위는 절연파괴전압에 이르기 전 인가전압에서 대략 절반까지 감소하였다. 또한 절연파괴가 발생하기 전 인가된 에너지의 절반 이상의 에너지가 이온화에 의해 접지극을 통하여 방출되었다.

• 한국전기전자재료학회논문지
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• 제11권3호
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• pp.181-187
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• 1998

The ionization energy and degree of ionization for p-type $Si_{1-x}Ge_x$ with boron doping are calculated taking into account the screening and broadening effects. The drift and Hall mobilities are then calculated using the relaxation time approximation and compared with the previously reported measurement data for relaxed and strained $Si_{1-x}Ge_x$ alloys to estimate the alloy scattering potential. From a fit, the alloy scattering potential is found to be 0.5 eV. The in-plane drift mobility for p-type strained $Si_{1-x}Ge_x$ grown on (001) Si substrate is approximately 1+$10x^2$ times higher than that for bulk Si in the high doping range.

• Bulletin of the Korean Chemical Society
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• 제7권2호
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• pp.97-99
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• 1986

Calculated ionization potential, electron affinity, electron density and bond order of some thiophene derivatives have been obtained and correlated with the inhibition of corrosion produced by these substances as evaluated by polarization curves. It is apparent that such quantities as the electron density or ionization potential play an important role. The calculation was carried out by the Extended Huckel method for the series of substituted thiophene derivatives.

• 전기화학회지
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• 제16권3호
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• pp.177-183
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• 2013

고전압에서도 사용 가능한 바인더 개발에 대한 요구가 증대됨에 따라 이에 적합한 내산화성이 우수한 바인더를 양자화학적 모델링에 기반하여 제안하고자 하였다. 각 고분자 poly(acryl amide)(PAM), poly(methyl acrylate)(PMA), poly(vinylidene fluoride)(PVDF), poly(hexafluropropylene)(PHFP)에 대하여 반경험적 방법(Semi-empirical method) 및 밀도범함수 이론(Density Functional Theory, DFT) 방법을 이용하여 단량체부터 사량체까지의 고분자 바인더에 대한 최고 점유 분자 궤도함수(Highest occupied molecular orbital, HOMO) 에너지와 이온화 에너지(Ionization Potential, IP) 값을 구하여 실험 값과 비교하였다. 밀도범함수 방법으로 해석한 결과, PHFP, PVDF, PMA, PAM 순으로 고분자의 내산화성이 좋은 것으로 시뮬레이션을 통해 예측되었고, 이러한 결과는 선형 훑음 전압-전류법(Linear Sweep Voltametry, LSV)으로부터 얻은 실험값과 일치하였다. 또한 이 결과는 HOMO 오비탈의 구조를 분석하여 내산화성이 좋은 원인을 규명하였다.

• 대한화학회지
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• 제41권3호
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• pp.117-122
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• 1997

전편[Bull. Korean Chem. Soc. 1995, 16, 1015]에 기초하여 중성과 다중 전하를 가진 $C_{60}$이온에 대하여 상대적 안정도, 이온화 에너지 및 화학 반응성을 연구하였다. $C_{60}^{1-}$이 가장 안정하며, 이온화 에너지는 15.31 eV($C_{60}^{2+}$)로부터 -13.01 eV($C_{60}^{6-}$)까지 값을 갖는다. 또한 전하와 이온화 에너지의 상관 관계에서 직선관계가 나타났으며, 전하당 평균 이온화 에너지는 3.15 eV(계산값)와 3.22 eV(상관관계값) 이었다. 양의 전하를 띤 $C_{60}$ 이온의 전하-이동 및 전자-이동 반응은 게스트 분자의 이온화 에너지가 호스트 $C_{60}^{n+}$의 전자 친화도보다 더 낮을 때 일어남을 알 수 있었다. 이때, 이온화 에너지와 전자친화도의 에너지 차이(${\Delta}_{IP-EA}$)가 클 때는 전하-조절 효과에 의하여 전하-이동 반응이 일어나며, 그 에너지 차이가 작을 때는 프론티어-조절 효과에 의하여 전자-이동 반응에 의하여 일어남을 확인하였다.

• Mass Spectrometry Letters
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• 제13권3호
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• pp.49-57
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• 2022

During electrospray ionization mass spectrometry (ESI-MS) analysis of proteins, the addition of supercharging agents allows for adjusting the maximal charge state, affecting the charge state distribution, and increases the number of ions reaching the detector thus, improving signal detection. We postulate that in di-substituted arene isomers, molecules with higher polarizability values should generate greater interactions and hence elicit higher signal intensities. Polarizability is an electronic parameter which has been demonstrated to predict many chemical interactions. Many properties can be predicted based on charge polarization. Molecular polarizability is a vital descriptor for explaining intermolecular interactions. We employed DFT (density functional/Hartree-Fock hybrid model, B3LYP)-derived descriptors and computed molecular polarizability for ten disubstituted arene reagents, each set made up of three (ortho, meta, para) isomers, with reported use as supercharging reagents during ESI experiments. The atomic electronic inputs were ionization potential (IP), electron affinity (EA), electronegativity (𝛘), hardness (η), chemical potential (µ), and dipole moment (D). We determined that the para isomers showed the highest polarizability values in nine of the ten sets. There was no difference between the ortho and meta isomers. Polarizability also increased with increasing complexity of the substituents on the benzene ring. Polarizability correlated positively with IP, EA, 𝛘, η, and D but correlated negatively with chemical potential. This DFT study predicts that the para isomers of di-substituted arene isomers should elicit the strongest ESI responses. An experimental comparison of the three isomers, especially of larger supercharging molecules, could be carried out to establish this premise.