• Title/Summary/Keyword: boron atom

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Ab Initio Investigations of Shapes of the h-BN Flakes on Copper Surface in Relation to h-BN Sheet Growth

  • Ryou, Junga;Hong, Suklyun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.210.1-210.1
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    • 2014
  • The hexagonal boron nitride (h-BN) sheet, a 2D material like graphene sheet, is comprised of boron and nitrogen atoms. Similar to graphene, h-BN sheet has attractive mechanical properties while it has a wide band gap unlike graphene. Recently, many experimental groups studied the growth of single BN layer by chemical vapor deposition (CVD) method on the copper substrate. To study the initial stage of h-BN growth on the copper surface, we have performed density functional theory calculations. We investigate several adsorption sites of a boron or nitride atom on the Cu surfaces. Then, by increasing the number of adsorbed B and N atoms, we study formation behaviors of the BN flakes on the surface. Several types of BN flakes atoms such as triangular, linear, and hexagonal shapes are considered on the copper surface. We find that the formation of the BN flake in triangular shape is most favorable on the surface. On the basis of the theoretical results, we discuss the growth mechanism of h-BN layer on the copper surfaces in terms of its shapes in the initial stage of growth.

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Electronic structure of B- or N-doped graphene

  • Kim, Jae-Hee;Min, Kyung-Ah
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.412-414
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    • 2014
  • In this study, we investigate atomic and electronic structure of graphene with substitutional impurities such as boron or nitrogen atom using density functional theory (DFT) calculations. To investigate the effects of substitutional impurities in graphene, we consider a ($6{\times}6$) supercell of graphene in our calculations. For detailed electronic properties of graphene, we compare the energy band structure of B- or N-doped graphene with that of pristine graphene.

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2-(Multimethoxyphenyl)-4-methylene-1,3-dioxolane: (III) Polymerization of 2-(2,4-Dimethoxyphenyl)-4-methylene-1,3-dioxolane with Various Cationic Catalysts

  • 장원철;배장순;공명선
    • Bulletin of the Korean Chemical Society
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    • v.20 no.12
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    • pp.1433-1436
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    • 1999
  • The 2-(2,4-dimethoxyphenyl)-4-MDO (2) underwent polymerization with ring opening as well as cyclization reaction in the presence of various cationic catalysts such as boron trifluoride, trifluoromethanesulfonic acid, p-toluenesulfonic acid, hydrochloric acid and trifluoroacetic acid. They afforded a mixture of the ring-opened poly(keto ether) and 3(2H)-dihydrofuranone derivative. Both the methylene group and oxygen atom of 1,3-dioxolane ring were participated in the reaction with cationic catalyst. The contents of the polymer and cyclization product were variable according to the acid strength of the cationic catalysts.

Suppression of misfit dislocations in heavily boron-doped silicon layers for micro-machining (마이크로 머시닝을 위한 고농도로 붕소가 도핑된 실리콘 층의 부정합 전위의 억제)

  • 이호준;김하수;한철희;김충기
    • Journal of the Korean Institute of Telematics and Electronics A
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    • v.33A no.2
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    • pp.96-113
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    • 1996
  • It has been found that the misfit dislocations in heavily boron-doped layers originate from wafer edges. Moreover, the propagation of the misfit dislocation into a heavily boron-doped region can be suppressed by placing a surrounding undoped region. Using a surrounding undoped region the disloction-free heavily boron-deoped silicon membranes have been fabricated. The measured surface roughness, fracture strength, and residual tensile stress of the membrane are 20.angs. peak-to-peak, 1.39${\times}$10$^{10}$ and 2.7${\times}$10$^{9}$dyn/cm$^{2}$, while those of the conventional heavily boron-doped silicon membrane with high density of misfit dislocations are 500 peak-to-peak, 8.27${\times}$10$^{9}$ and 9.3${\times}$10$^{8}$dyn/cm$^{2}$ respectively. The differences between these two membranes are due to the misfit dislocations. Young's modulus has been extracted as 1.45${\times}$10$^{12}$dyn/cm$^{2}$ for both membranes. Also, the effective lattice constant of heavily boron-doped silicon, the in-plane lattice constant of the conventional membrane, and the density of misfit dislocation contained in the conventional membrane have been extracted as density of misfit dislocation contained in the conventional membrane have been extracted as density of misfit dislocation contained in the conventional membrane have been extracted as 5.424.angs. 5.426.angs. and 2.3${\times}$10$^{4}$/cm for the average boron concentration of 1.3${\times}$10$^{20}$/cm$^{-23}$ cm$^{3}$/atom. Without any buffer layers, a disloction-free lightly boron-doped epitaxial layer with good crsytalline quality has been directly grown on the dislocation-free heavily boron-doped silicon layer. X-ray diffraction analysis revealed that the epitaxial silicon has good crystallinity, similar to that grown on lightly doped silicon substrate. The leakage current of the n+/p gated diode fabricated in the epitaxial silicon has been measured to be 0.6nA/cm$^{2}$ at the reverse bias of 5V.

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Neutron Shielding Performance of Mortar Containing Synthetic High Polymers and Boron Carbide (합성 고분자 화합물 및 탄화붕소 혼입에 따른 모르타르의 중성자 차폐성능 분석)

  • Min, Ji-Young;Lee, Bin-Na;Lee, Jong-Suk;Lee, Jang-Hwa
    • Journal of the Korea Concrete Institute
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    • v.28 no.2
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    • pp.197-204
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    • 2016
  • Concrete walls of neutron generating facilities such as fusion reactors and fission reactors become radioactive by neutron irradiation. Both low-activation and neutron shielding are a critical concern at the dismantling stage after the shutdown of facilities with a requirement of radioactive waste management. To tackle this, two types of additives were investigated in fabricating mortar specimens: synthetic high polymers and boron carbide. It is well known that a hydrogen atom is effective in neutron shielding by an elastic scattering because its mass is almost the same as that of the neutron. And boron is an effective neutron absorber with a big neutron absorption cross section. In this study, the effect of the type, shape, and size of polymers were investigated as well as that of boron carbide. Total 16 mix designs were prepared to reveal the effect of polymers on mechanical properties and neutron shielding performance. The neutron does equivalent of polymers-based mortar for fast neutrons decreased by 36 %, and the count rate of boron carbide-based mortar with regard to thermal neutrons decreased by 90 % compared to conventional mortar. These results showed that a combination of polymers and boron carbide compounds has potential to reduce the thickness of neutron shields as well as radioactive waste from reactors.

The Study on the Mechanism for Oxidation Reaction of Boratabenzene by Cyclic Voltammetry (Cyclic Voltammetry를 이용한 Boratabenzene의 산화반응 Mechanism 연구)

  • Shin, Ueon-Sang
    • Analytical Science and Technology
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    • v.15 no.6
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    • pp.550-555
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    • 2002
  • The oxidation mechanism of boratabenzene was studied. As a model compound the ferrocene analogue (${\eta}^6$-1-Methylboratabenzene)(${\eta}^5$-Pentamethylcyclopentadiennyl)iron 3 was chosen. The complex underwent irreversible oxidation in the presence of ortho proton on the ring and a methyl group on the boron atom in methanol medium. Chemical oxidations with $Hg(OAc)_2$, $HgSO_4$, $Cu(OH)_2$, $AgCF_3SO_3$ or $FeCl_3$ in MeOH gave, via a transition state [3], at first the derivates 6 and 7, which were converted to each 8 and 9.

Personal Ceramic Armor Materials to Protect the Human lives in the Warfare (생명을 보호히는 개인용 세라믹 방탄보호재료)

  • Kim, Ki-Soo
    • Composites Research
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    • v.22 no.4
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    • pp.50-53
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    • 2009
  • This paper mainly describes the armor materials, especially the ceramic materials for the personal protection. In the ceramic armor materials, B4C ceramics and SiC ceramics are the most popular materials. The $B_4C$ ceramics which consists of 4 atoms of boron and I atom of carbon is very light and strong. It is usually used to personal protection armor and chair protection in the helicopter. This material must be sintered at very high temperature because it melts at $2400^{\circ}C$. In order to have a good armor property, it must have very high density which is achieved by hot press or subsidiary sintering aid methods such as reducing the particle size of raw materials or mixing the sintering agents to the raw materials.

Modification and adhesion improvement of BN interfacial layers by Post-N+ implantation (질소 이온주입법에 의한 BN 박막의 계면구조 개선 및 밀착력 향상)

  • 변응선;이성훈;이상로;이구현;한승희;이응직;윤재홍
    • Journal of the Korean Vacuum Society
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    • v.8 no.2
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    • pp.157-164
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    • 1999
  • The post ion implantation has been applied to modify early-grown BN layer and improve the adhesion of the BN films. The effect of ion implantation doses on microstructure and interlayer was investigated by FTIR and HRTEM. And the hardness and delamination life time of N+-implanted BN films were measured. With increasing the ion dose up to $5.0\times10^{15}\textrm{atoms/cm}^2$,the change of IR spectrum is observed. At $5.0\times10^{16}\textrm{atoms/cm}^2$, a drastic transition of cubic phase into hexagonal phase is detected. The change of microstructure of early-grown layers by ion implantation is confirmed using HRTEM. Both microhardness and delamination life time of BN films increase with ion dose. The modification model of early-grown BN layers is briefly discussed based on the displacement per atom and excess boron in the BN film induced by ion irradiation.

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Selective Reduction of Organic Compounds with Non-Free Hydride Reducing Agents

  • Cha, Jin Soon
    • Journal of Integrative Natural Science
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    • v.1 no.3
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    • pp.192-194
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    • 2008
  • A series of non-free hydride reducing systems containing boron or aluminum atom, which possess no metal-hydride bond but an available hydrogen at a branched ${\beta}$-position, has been applied to the selective reduction (chemo--, regio-, and stereoselective reduction) of organic compounds. The systems, comprised of diisopinocampheylborane and diisobutylalane derivatives, exhibited almost perfect selectivities in the reduction of aldehydes and ketones. The characteristics features of this systems leading to a perfect transformation have been depicted in this report, especially in the 1) Reduction of ${\alpha}$,${\beta}$-Unsaturated Carbonyl Compounds to Allylic Alcohols via 1,2-Reduction, 2) Chemoselective Reduction between Structurally Different Carbonyl Compounds, and 3) Stereoselective Reduction of Cyclic Ketones.

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2-(Multimethoxy)phenyl-4-methylene-1,3-dioxolane (Ⅰ): Preparation and Cationic Polymerization of 2-(Dimethoxy)phenyl-4-MDO Derivatives

  • 김종태;공명선
    • Bulletin of the Korean Chemical Society
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    • v.20 no.6
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    • pp.663-666
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    • 1999
  • The 4-methylene-1,3-dioxolane(4-MDO) derivatives with dimethoxyphenyl group on the 2-position of 1,3-dioxolane ring, 2-(x,y-dimethoxyphenyl)-4-MDO derivatives (x,y=2,3(1b), 2,4(2b), 2,5(3b) and 3,4(4b)) were prepared by acelalizationof the corresponding benzaldehyde with 3-chloro-1,2-propanediol, followed by dehydrochlorination. 2-(Dimethoxy)phenyl-4-MDO derivatives underwent polymerization wiht ring opening as will as cyclization reaction to afford a mixture of the ring-opened polymer and 3(2H)-dihydrofuranone derivative with boron trifluoride as a cationic catalyst. Both the methylene group and 1,3-dioxolane ring were participated in the reaction with cationic catalyst. The key intermediate of the polymerization is a benzyl cation generated by ring opening, and the cyclization reaction proceed via proton addition to oxygen atom of 1,3-dioxolane ring.