• Title/Summary/Keyword: chemical doping

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Effect of Aluminum on Nitrogen Solubility in Zinc Oxide: Density Functional Theory (산화 아연에서의 질소 용해도에 대한 알루미늄의 효과 : 밀도 범함수 이론)

  • Kim, Dae-Hee;Lee, Ga-Won;Kim, Yeong-Cheol
    • Korean Journal of Materials Research
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    • v.21 no.12
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    • pp.639-643
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    • 2011
  • Zinc oxide as an optoelectronic device material was studied to utilize its wide band gap of 3.37 eV and high exciton biding energy of 60 meV. Using anti-site nitrogen to generate p-type zinc oxide has shown a deep acceptor level and low solubility. To increase the nitrogen solubility in zinc oxide, group 13 elements (aluminum, gallium, and indium) was co-added to nitrogen. The effect of aluminum on nitrogen solubility in a $3{\times}3{\times}2$ zinc oxide super cell containing 72 atoms was investigated using density functional theory with hybrid functionals of Heyd, Scuseria, and Ernzerhof (HSE). Aluminum and nitrogen were substituted for zinc and oxygen sites in the super cell, respectively. The band gap of the undoped super cell was calculated to be 3.36 eV from the density of states, and was in good agreement with the experimentally obtained value. Formation energies of a nitrogen molecule and nitric oxide in the zinc oxide super cell in zinc-rich conditions were lower than those in oxygen-rich conditions. When the number of nitrogen molecules near the aluminum increased from one to four in the super cell, their formation energies decreased to approach the valence band maximum to some degree. However, the acceptor level of nitrogen in zinc oxide with the co-incorporation of aluminum was still deep.

Preparation and Electrical Properties of Manganese-incorporated Neodymium Oxide System

  • Jong Sik Park;Keu Hong Kim;Chul Hyun Yo;Sung Han Lee
    • Bulletin of the Korean Chemical Society
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    • v.15 no.9
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    • pp.713-718
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    • 1994
  • Manganese-incorporated neodymium oxide systems with a variety of Mn mol% were prepared to investigate the effect of doping on the electrical properties of neodymium oxide. XRD, XPS, SEM, DSC, and TG techniques were used to analyze the specimens. The systems containing 2, 5, 8, and 10 mol% Mn were found to be solid solutions by X-ray diffraction analysis and the lattice parameters were obtained for the single-phase hexagonal structure by the Nelson-Riley method. The lattice parameters, a and c, decreased with increasing Mn mol%. Scanning electron photomicrographs of the specimens showed that the grain size decreased with increasing Mn mol%. The curves of log conductivity plotted as a function of 1/T in the temperature range from 500 to 1000$^{\circ}C$ at $PO_2$'s of $10^{-5}$ to $10^{-1}$ atm for the specimens were divided into high-and low-temperature regions with inflection points near 820-890$^{\circ}C$. The activation energies obtained from the slopes were 0.53-0.87 eV for low-temperature region and 1.40-1.91 eV for high-temperature region. The electrical conductivities increased with increasing Mn mol% and $PO_2$, indicating that all the specimens were p-type semiconductors. At $PO_2$'s below $10^{-3}$ atm, the electrical conductivity was affected by the chemisorption of oxygen molecule in the temperature range of 660 to 850$^{\circ}C$. It is suggested that electron holes generated by oxygen incorporation into the oxide are charge carriers for the electrical conduction in the high-temperature region and the system includes ionic conduction owing to the diffusion of oxygen atoms in the low-temperature region.

Effect of Mn-addition on Catalytic Activity of $Mn/In_2O_3$ in Methane Activation

  • Park, Jong Sik;Jun Jong Ho;Kim Yong Rok;Lee Sung Han
    • Bulletin of the Korean Chemical Society
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    • v.15 no.12
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    • pp.1058-1064
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    • 1994
  • Mn/In$_2O_3$ systems with a variety of Mn mol${\%}$ were prepared to investigate the effect of Mn-addition on the catalytic activity of Mn/In$_2O_3$ in the oxidative coupling of methane. The oxidative coupling of methane was examined on pure In$_2O_3$ and Mn/In$_2O_3$ catalysts by cofeeding gaseous methane and oxygen under atmospheric pressure between 650 and 830 $^{\circ}C$. Although pure In$_2O_3$ showed no C$_2$ selectivity, both the C$_2$ yield and the C$_2$ selectivity were increased by Mn-doping. The 5.1 mol${\%}$ Mn-doped In$_2O_3$ catalyst showed the best C$_2$ yield of 2.6${\%}$ with a selectivity of 19.1${\%}$. The electrical conductivities of pure and Mn-doped In$_2O_3$ systems were measured in the temperature range of 25 to 100 $^{\circ}C$ at PO$_2$'S of 1 ${\times}$ 10$^{-7}$ to 1 ${\times}$ 10 $^{-1}$ atm. The electrical conductivities were decreased with increasing Mn mol${\%}$ and PO$_2$, indicating the specimens to be n-type semiconductors. Electrons serve as the carriers and manganese can act as an electron acceptor in the specimens. Manganese ions doped in In$_2O_3$ inhibit the ionization of neutral interstitial indium or the transfer of lattice indium to interstitial sites and increase the formation of oxygen vacancy, giving rise to the increase of the concentration of active oxygen ion on the surface. It is suggested that the active oxygen species adsorbed on oxygen vacancies are responsible for the activation of methane.

Photo-catalytic Degradation on B-, C-, N-, and F Element co-doped TiO2 under Visible-light Irradiation (B, C, N, F 원소 다중도핑된 TiO2의 가시광 광촉매 분해 반응)

  • Bai, Byong Chol;Im, Ji Sun;Kim, Jong Gu;Lee, Young-Seak
    • Applied Chemistry for Engineering
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    • v.21 no.1
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    • pp.29-33
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    • 2010
  • In this study, boron, carbon, nitrogen and fluorine co-doped $TiO_{2}$ photocatalysts using tetraethylammonium tetrafluoroborate (TEATFB) have been prepared by different heat treatment temperatures to decrease the band gap. To explore the visible light photocatalytic activity of the novel low‐zband gap $TiO_{2}$ photocatalyst, the removal of two dyes was investigated, namely, acridine orange and rhodamine B. XRD patterns demonstrate that the samples calcined at temperatures up to $800^{\circ}C$ clearly show anatase peaks. The XPS results show that all the doped samples contain N, C, B and F elements and the doped $TiO_{2}$ shows the shift in the band gap transition down to 2.98 eV as UV-DRS results. In these UV-Vis results, photocatalytic activity of the doped $TiO_{2}$ is 1.61 times better than undoped $TiO_{2}$. Specially, excellent photoactivity results were obtained in the case of samples treated at $700^{\circ}C$.

Enhanced Efficiency of Organic Electroluminescence Diode Using 2-TNATA:C60 Hole Injection Layer (2-TNATA:C60 정공 주입층을 이용한 유기발광다이오드의 성능 향상 연구)

  • Park, So-Hyun;Kang, Do-Soon;Park, Dae-Won;Choe, Young-Son
    • Polymer(Korea)
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    • v.32 no.4
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    • pp.372-376
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    • 2008
  • Vacuum deposited 4,4',4"-tris(N-(2-naphthyl)-N-phenylamino)-triphenylamine (2-TNATA), used as a hole injection (HIL) material in OLEDs, is placed as a thin interlayer between indium tin oxide (ITO) electrode and a hole transporting layer (HTL) in the devices. C60-doped 2-TNATA:C60 (20 wt%) film was formed via co-evaporation process and molecular ordering and topology of 2-TNATA:C60 films were investigated using XRD and AFM. The J-V, L-V and current efficiency of multi-layered devices were characterized as well. Vacuum-deposited C60 film was molecularly oriented, but neither was 2-TNATA:C60 film due to the uniform dispersion of C60 molecules in the film. By using C60-doped 2-TNATA:C60 film as a HIL, the current density and luminance of a multi-layered ITO/2-TNATA:C60/NPD/$Alq_3$/LiF/Al device were significantly increased and the current efficiency of the device was increased from 4.7 to 6.7 cd/A in the present study.

Synthesis and Photoluminescence Properties of Y1-x(P1-y-zNbyVz)O4:Eux Phosphors by Modified Combinatorial Chemistry Method (조합화학 기법을 이용한 Y1-x(P1-y-zNbyVz)O4:Eux 형광체의 합성 및 빛 발광 특성)

  • Zeon, Il-Woon;Sohn, Kee-Sun;Park, Hee-Dong
    • Journal of the Korean Chemical Society
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    • v.46 no.1
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    • pp.69-75
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    • 2002
  • The $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ blue and red emitting phosphors were prepared by the combinatorial chemistry method. The combinatorial library was designed to investigate the luminescence of the $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ phosphors under 254 nm and 147 nm excitations. In addition, the crystallinity and morphology of phosphors were checked by XRD and SEM. Based on the results from the combinatorial screenings, luminescent properties of phosphors are strongly dependent on the concentration of doping metal ions. It was found that a new phosphor $Y_{0.88}(P_{0.92}Nb_{0.05}V_{0.03})O_4:Eu_{0.12}$ shows excellent luminescent efficiency comparing to the $Y_{0.88}PO_4:Eu_{0.12}$ red phosphor.

A Study on Oxygen Evolution Activity of Co3O4 with different morphology prepared by Ultrasonic Spray Pyrolysis for Water Electrolysis (분무열분해로 합성한 수전해용 Co3O4의 입자형태에 따른 산소발생 활성에 관한 연구)

  • Kim, Ingyeom;Nah, In Wook;Park, Sehkyu
    • Korean Chemical Engineering Research
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    • v.54 no.6
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    • pp.854-862
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    • 2016
  • As the demand for a clean energy to replace fossil fuel being depleted increases, hydrogen energy is considered as a promising candidate for future energy source. Water electrolysis which produces hydrogen has high energy efficiency and stability but still has a large overpotential for oxygen evolution reaction (OER). In this study, $Co_3O_4$ catalysts with different morphology were prepared by spray pyrolysis from solutions which contain Co precursor and various organic additives (urea, sucrose, and citric acid), followed by post heat treatment. For the catalysts synthesized, X-ray diffraction (XRD) measurements were performed to identify their crystal structure. Morphology and surface shape of the catalysts were observed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Surface area and pore volume were examined by nitrogen adsortpion & desorption tests and X-ray photoelectron spectroscopy (XPS) was conducted to confirm nitrogen doping. Linear sweep voltammetry (LSV) was carried out to investigate OER activity of $Co_3O_4$ catalysts. As a result, bare-$Co_3O_4$ which has high surface area and small particle size determined by spray pyrolysis showed high activity toward OER.

Crystalline Growth Properties of Diamond Thin Film Prepared by MPCVD

  • Park Soo-Gil;Kim Gyu-Sik;Einaga Yasuaki;Fujishima Akira
    • Journal of the Korean Electrochemical Society
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    • v.3 no.4
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    • pp.200-203
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    • 2000
  • Boron doped conducting diamond thin films were grown on Si substrate by microwave plasma chemical vapor deposition from a gaseous feed of hydrogen, acetone/methanol and solid boron. The doping level of boron was ca. $10^2ppm\;(B/C)$. The Si substrate was tilted ca. $10^{\circ}$ to make Si substrate, which have different height and temperature. Experimental results showed that different crystalline of diamond thin films were made by different temperature of Si substrate. There appeared $3\~4$ steps of different crystalline morphology of diamond. To characterize the boron-doped diamond thin film, Raman spectroscopy was used for identification of crystallinity. To survey surface morphology, microscope was used. Grain size was changed gradually by different temperature due to different height. The Raman spectrum of film exhibited a sharp peak at $1334cm^{-1}$, which is characteristic of crystalline diamond. The lower position of diamond film position, the more non-diamond component peak appeared near $1550 cm^{-1}$.

Effect of Ce Addition on Catalytic Activity of Cu/Mn Catalysts for Water Gas Shift Reaction (수성가스전이반응(Water Gas Shift Reaction)을 위한 Ce 첨가에 따른 Cu/Mn 촉매의 활성 연구)

  • PARK, JI HYE;IM, HYO BEEN;HWANG, RA HYUN;BAEK, JEONG HUN;KOO, KEE YOUNG;YI, KWANG BOK
    • Transactions of the Korean hydrogen and new energy society
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    • v.28 no.1
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    • pp.1-8
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    • 2017
  • Cu/Mn/Ce catalysts for water gas shift (WGS) reaction were synthesized by urea-nitrate combustion method with the fixed molar ratio of Cu/Mn as 1:4 and 1:1 with the doping concentration of Ce from 0.3 to 0.8 mol%. The prepared catalysts were characterized with SEM, BET, XRD, XPS, $H_2$-TPR, $CO_2$ TPD, $N_2O$ chemisorption analysis. The catalytic activity tests were carried out at a GHSV of $28,000h^{-1}$ and a temperature range of 200 to $400^{\circ}C$. The Cu/Mn(CM) catalysts formed Cu-Mn mixed oxide of spinel structure ($Cu_{1.5}Mn_{1.5}O_4$) and manganese oxides ($MnO_x$). However, when a small amount of Ce was doped, the growth of $Cu_{1.5}Mn_{1.5}O_4$ was inhibited and the degree of Cu dispersion were increased. Also, the doping of Ce on the CM catalyst reduced the reduction temperature and the base site to induce the active site of the catalyst to be exposed on the catalyst surface. From the XPS analysis, it was confirmed that maintaining the oxidation state of Cu appropriately was a main factor in the WGS reaction. Consequently, Ce as support and dopant in the water gas shift reaction catalysts exhibited the enhanced catalytic activities on CM catalysts. We found that proper amount of Ce by preparing catalysts with different Cu/Mn ratios.

Dependence of Doping on Indium Content in InGaN/GaN Multiple Quantum Wells for Effective Water Splitting (다양한 In 조성을 가진 InGaN/GaN Multi Quantum Well의 효과적인 광전기화학적 물분해)

  • Bae, Hyojung;Bang, Seung Wan;Ju, Jin-Woo;Ha, Jun-Seok
    • Journal of the Microelectronics and Packaging Society
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    • v.25 no.3
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    • pp.1-5
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    • 2018
  • In this study, the effects of indium (In) doping in InGaN/GaN multi quantum well (MQW) on photoelectrochemical (PEC) properties were investigated. Each quantum well (QW) layer with controlled In content were grown on sapphire substrate. Before growth of MQW, GaN growth consisted of various stages in the following order: buffer GaN growth, undoped GaN growth, and Si-doped n-type GaN growth. Absorbance of InGaN/GaN MQW having different In composition was higher than that of the InGaN/GaN MQW having a constant In composition. It indicates that InGaN layer having different In composition absorbs light having a broad spectrum energy. These results are in agreement with those in photoluminescence (PL). After evaluation of PEC properties, it demonstrated that InGaN/GaN MQW having different In composition was improved InGaN/GaN MQW having constant In composition in PEC water splitting ability.