• 제목/요약/키워드: surface phase transition

검색결과 250건 처리시간 0.026초

Investigation of the Scanning Tunneling Microscopy Image, the Stacking Pattern and the Bias-voltage Dependent Structural Instability of 2,2'-Bipyridine Molecules Adsorbed on Au(111) in Terms of Electronic Structure Calculations

  • Suh, Young-Sun;Park, Sung-Soo;Kang, Jin-Hee;Hwang, Yong-Gyoo;Jung, D.;Kim, Dong-Hee;Lee, Kee-Hag;Whangbo, M.-H.
    • Bulletin of the Korean Chemical Society
    • /
    • 제29권2호
    • /
    • pp.438-444
    • /
    • 2008
  • A self-assembled monolayer of 2,2'-bipyridine (22BPY) molecules on Au(111) underwent a structural phase transition when the polarity of a bias voltage was switched in scanning tunneling microscopy (STM) experiments. The nature of two bright spots representing each 22BPY molecule on Au(111) in the high-resolution STM images was identified by calculating the partial density plots for a monolayer of 22BPY molecules adsorbed on Au(111) using tight-binding electronic structure calculations. The stacking pattern of the chains of 22BPY molecules on Au(111) was explained by examining the intermolecular interactions between the 22BPY molecules based on first principles electronic structure calculations for a 22BPY dimer, (22BPY)2. The structural instability of the 22BPY molecule arrangement caused by a change in the bias voltage switch was investigated by estimating the adsorbate-surface interaction energy using a point-charge approximation for Au(111).

CeO2-Promoted Highly Active Catalyst, NiSO4/CeO2-ZrO2 for Ethylene Dimerization

  • Pae, Young-Il;Shin, Dong-Cheol;Sohn, Jong-Rack
    • Bulletin of the Korean Chemical Society
    • /
    • 제27권12호
    • /
    • pp.1989-1996
    • /
    • 2006
  • The $NiSO_4/CeO_2-ZrO_2 $catalysts containing different nickel sulfate and $CeO_2$ contents were prepared by the impregnation method, where support, $CeO_2-ZrO_2$was prepared by the coprecipitation method using a mixed aqueous solution of zirconium oxychloride and cerium nitrate solution followed by adding an aqueous ammonia solution. No diffraction line of nickel sulfate was observed up to 20 wt %, indicating good dispersion of nickel sulfate on the surface of $CeO_2-ZrO_2$. The addition of nickel sulfate (or $CeO_2$) to $ZrO_2$ shifted the phase transition of $ZrO_2$ from amorphous to tetragonal to higher temperatures because of the interaction between nickel sulfate (or $CeO_2$) and $ZrO_2$. A catalyst (10-$NiSO_4/1-CeO_2-ZrO_2$) containing 10 wt % $NiSO_4$ and 1 mole % $CeO_2$, and calcined at $600{^{\circ}C}$ exhibited a maximum catalytic activity for ethylene dimerization. The catalytic activities were correlated with the acidity of catalysts measured by the ammonia chemisorption method. The role of $CeO_2$was to form a thermally stable solid solution with zirconia and consequently to give high surface area, thermal stability and acidity of the sample.

NOx제거용 MnOx-TiO2 계 저온형SCR 촉매의 Mn전구체에 따른 영향 (Effects of Manganese Precursors on MnOx/TiO2 for Low-Temperature SCR of NOx)

  • 김장훈;신병길;윤상현;이희수;임형미;정영근
    • 대한금속재료학회지
    • /
    • 제50권3호
    • /
    • pp.201-205
    • /
    • 2012
  • The effects of various manganese precursors for the low-temperature selective catalytic reduction (SCR) of $NO_x$ were investigated in terms of structural, morphological, and physico-chemical analyses. $MnO_x/TiO_2$ catalysts were prepared from three different precursors, manganese nitrate, manganese acetate(II), and manganese acetate(III), by the sol-gel method. The manganese acetate(III)-$MnO_x/TiO_2$ catalyst tended to suppress the phase transition from the anatase structure to the rutile or the brookite after calcination at $500^{\circ}C$ for 2 h. It also had a high specific surface area, which was caused by a smaller particle size and more uniform distribution than the others. The change of catalytic acid sites was confirmed by Raman and FT-IR spectroscopy and the manganese acetate(III)-$MnO_x/TiO_2$ had the strongest Lewis acid sites among them. The highest de-NOx efficiency and structural stability were achieved by using the manganese cetate(III) as a precursor, because of its high specific surface area, a large amount of anatase $TiO_2$, and the strong catalytic acidity.

Pyroelectricity of BaTiO3-doped PMNT ferroelectric system for pyroelectric sensor

  • Yeon Jung Kim
    • 한국표면공학회지
    • /
    • 제56권6호
    • /
    • pp.380-385
    • /
    • 2023
  • In this study, an MPB PMNT system containing 0.05 to 0.10 wt.% BaTiO3 was synthesized using a traditional chemical method and its pyroelectricity was investigated. Pyroelectricity, dielectricity, and ferroelectricity of the synthesized BaTiO3-PMNT system were analyzed by heat treatment at 1240~1280 ℃ for 4 hours to evaluate its applicability as a pyroelectric sensor. Unlike the simple ABO3 ferroelectric, the BaTiO3-doped PMNT system exhibited phase transition characteristics over a wide temperature range typical of complex perovskite structures. Although no dramatic change could be confirmed depending on the amount of BaTiO3 added, stable pyroelectricity was maintained near room temperature and over a wide temperature range. When the amount of BaTiO3 added increased from 0.05BaTiO3-PMNT to 0.10BaTiO3-PMNT, the electric field slightly increased from 5.00×103 kV/m to 6.75×103 kV/m, and the maximum value of remanent polarization slightly increased from 0.223 C/m2 to 0.234 C/m2. The pyroelectric coefficients of 0.05BaTiO3-PMNT and 0.10BaTiO3- PMNT at room temperature were measured to be ~0.0084 C/m2K and ~0.0043 C/m2K, respectively. The relaxor ferroelectric properties of the BaTiO3-PMNT system were confirmed by analyzing the plot of Kmax/K versus (T-Tmax)γ. The BaTiO3-doped MPB PMNT system showed a distinct pyroelectric performance index at room temperature, and the values were Fv ~ 0.0362 m2/C, Fd ~ 0.575×10-4 Pa-1/2.

Preparation of Styrene-Ethyl acylate Core-shell Structured Detection Materials for aMeasurement of the Wall Contamination by Emulsion Polymerization

  • Hwang, Ho-Sang;Seo, Bum-Kyoung;Lee, Dong-Gyu;Lee, Kune-Woo
    • 한국방사성폐기물학회:학술대회논문집
    • /
    • 한국방사성폐기물학회 2009년도 학술논문요약집
    • /
    • pp.84-85
    • /
    • 2009
  • New approaches for detecting, preventing and remedying environmental damage are important for protection of the environment. Procedures must be developed and implemented to reduce the amount of waste produced in chemical processes, to detect the presence and/or concentration of contaminants and decontaminate fouled environments. Contamination can be classified into three general types: airborne, surface and structural. The most dangerous type is airborne contamination, because of the opportunity for inhalation and ingestion. The second most dangerous type is surface contamination. Surface contamination can be transferred to workers by casual contact and if disturbed can easily be made airborne. The decontamination of the surface in the nuclear facilities has been widely studied with particular emphasis on small and large surfaces. The amount of wastes being produced during decommissioning of nuclear facilities is much higher than the total wastes cumulated during operation. And, the process of decommissioning has a strong possibility of personal's exposure and emission to environment of the radioactive contaminants, requiring through monitoring and estimation of radiation and radioactivity. So, it is important to monitor the radioactive contamination level of the nuclear facilities for the determination of the decontamination method, the establishment of the decommissioning planning, and the worker's safety. But it is very difficult to measure the surface contamination of the floor and wall in the highly contaminated facilities. In this study, the poly(styrene-ethyl acrylate) [poly(St-EA)] core-shell composite polymer for measurement of the radioactive contamination was synthesized by the method of emulsion polymerization. The morphology of the poly(St-EA) composite emulsion particle was core-shell structure, with polystyrene (PS)as the core and poly(ethyl acrylate) (PEA) as the shell. Core-shell polymers of styrene (St)/ethyl acrylate (EA) pair were prepared by sequential emulsion polymerization in the presence of sodium dodecyl sulfate (SOS) as an emulsifier using ammonium persulfate (APS) as an initiator. The polymer was made by impregnating organic scintillators, 2,5-diphenyloxazole (PPO) and 1,4-bis[5-phenyl-2-oxazol]benzene (POPOP). Related tests and analysis confirmed the success in synthesis of composite polymer. The products are characterized by IT-IR spectroscopy, TGA that were used, respectively, to show the structure, the thermal stability of the prepared polymer. Two-phase particles with a core-shell structure were obtained in experiments where the estimated glass transition temperature and the morphologies of emulsion particles. Radiation pollution level the detection about under using examined the beta rays. The morphology of the poly(St-EA) composite polymer synthesized by the method of emulsion polymerization was a core-shell structure, as shown in Fig. 1. Core-shell materials consist of a core structural domain covered by a shell domain. Clearly, the entire surface of PS core was covered by PEA. The inner region was a PS core and the outer region was a PEA shell. The particle size distribution showed similar in the range 350-360 nm.

  • PDF

분무열분해법으로 제조된 SrAl2O4:Ho3+ 녹색 형광체의 발광특성 (Luminescence Characterization of SrAl2O4:Ho3+ Green Phosphor Prepared by Spray Pyrolysis)

  • 정경열;김우현
    • Korean Chemical Engineering Research
    • /
    • 제53권5호
    • /
    • pp.620-626
    • /
    • 2015
  • $Ho^{3+}$가 도핑된 $SrAl_2O_4$ 상향전환 형광체 분말을 분무열분해법으로 제조하고 활성제의 농도, 후 열처리 온도 변화에 따른 결정학적 구조와 발광 특성을 조사하였다. 또한 유기 첨가제 사용에 따른 형광체의 결정구조, 표면적 및 휘도 변화를 조사하였다. $SrAl_2O_4:Ho^{3+}$$Ho^{3+}$$^5F_4/^5S_2{\rightarrow}^5I_8$ 전이에 기인한 강한 녹색 발광을 보였다. 가장 높은 발광 강도를 보이는 $Ho^{3+}$ 농도는 0.1%였고, 그 이상의 농도에서는 활성 이온간 쌍극자-쌍극자 상호 작용에 의에 농도소강이 일어나 발광 휘도는 급격히 감소하였다. 여기 광원의 전력 세기에 따른 발광 휘도 변화 관찰로부터 $SrAl_2O_4:Ho^{3+}$의 녹색 발광은 2광자가 관여된 바닥상태흡수-여기상태흡수 과정을 통해 효율적으로 일어남이 확인되었다. 합성된 분말의 주상은 단사정계이고 일부 육방정계 상이 존재하였다. 후 열처리 온도를 $1000^{\circ}C$에서 $1350^{\circ}C$로 증가시킴에 따라 $SrAl_2O_4:Ho^{3+}$는 육방정계 상이 줄어 들면서 단상정계의 결정성이 향상되었다. 그러나 $1350^{\circ}C$에서도 일부 육방정계 상은 존재하였다. 구연산(CA)과 에틸렌 글리콜(EG)을 첨가해준 분무 용액으로부터 제조한 경우, 육방정계 상이 없는 순수한 단사정계 상으로 향상된 결정성을 가지는 $SrAl_2O_4:Ho^{3+}$가 제조되었다. 또한 유기 첨가제와 함께 N,N-Dimethylformamide(DMF)를 분무용액에 넣어 줌으로써 형광체의 표면적을 크게 감소시킬 수 있었다. 그 결과 CA/EG/DMF를 넣고 제조한 $SrAl_2O_4:Ho^{3+}$ 형광체는 유기 첨가물 없이 제조한 형광체에 비해 발광 휘도가 약 168% 향상되었다. 이러한 휘도 증대는 $SrAl_2O_4:Ho^{3+}$ 형광체의 결정상이 순수해졌고, 결정성 증대와 표면 결함을 최소화시킨 결과라고 결론지었다.

단결정 Pt(100)/수용액 계면에서 전가흡착된 수소의 Langmuir흡착등온식 (The Langmuir Adsorption Isotherms of the Electroadsorbed Hydrogens at the Single Crystal Pt(100)/Aqueous Electrolyte Interfaces)

  • 천장호;전상규
    • 전기화학회지
    • /
    • 제4권1호
    • /
    • pp.14-20
    • /
    • 2001
  • 단결정 Pt(100)/0.5M $H_2SO_4$ 및 0.5M LiOH수용액 계면에서 저전위 수소흡착(UPD H)과 과전위 수소흡착(OPD H)에 관한 Langmuir흡착등온식을 위상이동 방법을 이용하여 연구 조사하였다. 최적 중간주파수에서 위상이동 변화$({-\varphi}\;vs.\;E)$는 Langmuir흡착등온식$(\theta\;vs.\;E)$의 추정에 적용할 수 있는 유용한 실험 방법이다. 단결정 Pt(100)/0.5M $H_2SO_4$ 수용액 계면에서 과전위 수소흡착에 기인한 흡착평형상수(K)와 흡착표준자유에너지$({\Delta}G_{ads})$는 각각 $1.5\times10^{-4}$와 21.8kJ/mol이다. 단결정 Pt(100)/0.5M LiOH 수용액 계면에서 K는 음전위에 따라 1.9(UPD H)에서 $6.8\times10^{-6}$ (OPD H)또는 그 반대로 전이한다. 마찬가지로, ${\Delta}G_{ads}$는 음전위에 따라 -1.6kJ/mol (UPD H)에서 29.5kJ/mol (OPD H) 또는 그 반대로 전이한다. 전극속도론적 패러미터$(K,\; {\Delta}G_{ads})$의 전이는 단결정 Pt(100)전극표면의 UPD H와 OPD H에 기인한다. UPD H와 OPD H는 음극 $H_2$발생 반응을 위한 순차적 과정이 아니라 전극표면의 수소 흡착부위에 기인하는 독립적 과정이다.

NiSO4 Supported on FeO-promoted ZrO2 Catalyst for Ethylene Dimerization

  • Sohn, Jong-Rack;Kim, Young-Tae;Shin, Dong-Cheol
    • Bulletin of the Korean Chemical Society
    • /
    • 제26권11호
    • /
    • pp.1749-1756
    • /
    • 2005
  • The $NiSO_4$ supported on FeO-promoted $ZrO_2$ catalysts were prepared by the impregnation method. FeOpromoted $ZrO_2$ was prepared by the coprecipitation method using a mixed aqueous solution of zirconium oxychloride and iron nitrate solution followed by adding an aqueous ammonia solution. The addition of nickel sulfate (or FeO) to $ZrO_2$ shifted the phase transition of $ZrO_2$ (from amorphous to tetragonal) to higher temperatures because of the interaction between nickel sulfate (or FeO) and $ZrO_2$. 10-$NiSO_4$/5-FeO-$ZrO_2$ containing 10 wt % $NiSO_4$ and 5 mol % FeO, and calcined at 500 ${^{\circ}C}$ exhibited a maximum catalytic activity for ethylene dimerization. $NiSO_4$/FeO-$ZrO_2$ catalysts was very effective for ethylene dimerization even at room temperature, but FeO-$ZrO_2$ without $NiSO_4$ did not exhibit any catalytic activity at all. The catalytic activities were correlated with the acidity of catalysts measured by the ammonia chemisorption method. The addition of FeO up to 5 mol % enhanced the acidity, surface area, thermal property, and catalytic activities of catalysts gradually, due to the interaction between FeO and $ZrO_2$ and due to consequent formation of Fe-O-Zr bond.

가스분무법에 의한 Fe계 비정질 분말의 제조와 볼밀링공정에 의한 연질 Cu 분말과의 복합화 및 SPS 거동 (I) - I. 가스분무 및 복합화 - (Production of Fe Amorphous Powders by Gas-atomization Process and Subsequent Spark Plasma Sintering of Fe Amorphous-ductile Cu Composite Powders Produced by Ball-milling Process (I) - I. Gas Atomization and Production of Composite Powders -)

  • 류호진;임재현;김지순;김진천;김휘준
    • 한국분말재료학회지
    • /
    • 제16권5호
    • /
    • pp.316-325
    • /
    • 2009
  • Fe based (Fe$_{68.2}$C$_{5.9}$Si$_{3.5}$B$_{6.7}$P$_{9.6}$Cr$_{2.1}$Mo$_{2.0}$Al$_{2.0}$) amorphous powder, which is a composition of iron blast cast slag, were produced by a gas atomization process, and sequently mixed with ductile Cu powder by a mechanical ball milling process. The experiment results show that the as-prepared Fe amorphous powders less than 90 $\mu$m in size has a fully amorphous phase and its weight fraction was about 73.7%. The as-atomized amorphous Fe powders had a complete spherical shape with very clean surface. Differential scanning calorimetric results of the as-atomized Fe powders less than 90 $\mu$m showed that the glass transition, T$_g$, onset crystallization, T$_x$, and super-cooled liquid range $\Delta$T=T$_x$-T$_g$ were 512, 548 and 36$^{\circ}C$, respectively. Fe amorphous powders were mixed and deformed well with 10 wt.% Cu by using AGO-2 high energy ball mill under 500 rpm.