• Title/Summary/Keyword: molecular adsorption

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Changes of Electrical Properties of Graphene upon Introduction of Structural Defects and Gas Exposure

  • Kim, Kang-Hyun;Kang, Hae-Yong;Lee, Jae-Woo;Lee, Nam-Hee;Woo, Byung-Chill;Yun, Wan-Soo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.474-474
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    • 2011
  • Graphene is considered as a potential candidate for the key material in the ideal 2D nanoelectronics. Recently, it is reported that graphene has an interesting sensitivity to molecular adsorption on it. Such properties are believed to be enhanced by the existence of disorders and ripples inside graphene as well as by the interaction with the substrate underneath. Here, we report the effect of introducing structural disorders to the graphene on its electrical properties such as conductance, transconductance, low frequency noise, which can be successfully described by a simple model of the continuum percolation. In addition, the response of the graphene device to gaseous molecular adsorption was systematically investigated and the results were discussed along with the change in Raman spectra.

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Adsorption and Oxidation Reaction Rate of $SO_2$ in Slurries of Activated Carbon (활성탄 슬러리를 이용한 $SO_2$ 가스의 흡착 및 산화반응 속도)

  • 최용택;신창섭;이태희
    • Journal of Korean Society for Atmospheric Environment
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    • v.3 no.1
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    • pp.41-46
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    • 1987
  • Adsorption and reaction studies were made for the catalytic oxidation in aqueous slurries of activated carbon at room temperature and atmospheric pressure. In order to analyze the reaction rate, the mechanism was assumed by the steps of nonhomogeneous catalytic reaction. The experimental result show that oxidation rate was controlled by the reaction between adsorbed molecular oxygen and sulfur dioxide on the catalyst surface. Ar room temperature, the equat5ion of reaction rate was given as $ro_2 = 2.49 \times 10^{-7} P_O_2^{0.604}$.

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Dissociative adsorption structure of guanine on Ge(100)

  • Youn, Young-Sang;Kim, Do Hwan;Lee, Hye Jin;Kim, Sehun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2015.08a
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    • pp.109.1-109.1
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    • 2015
  • Understanding the reaction mechanisms and structures underlying the adsorption of biomolecules on semiconductors is important for functionalizing semiconductor surfaces for various bioapplications. Herein, we describe the characteristic behavior of a primary nucleobase adsorbed on the semiconductor Ge(100). The adsorption configuration of guanine, a primary nucleobase found in DNA and RNA, on the semiconductor Ge(100) at an atomic level was investigated using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. When adsorbed on Ge(100) at room temperature, guanine appears dark in STM images, indicating that the adsorption of guanine on Ge(100) occurs through N-H dissociation. In addition, DFT calculations revealed that "N(1)-H dissociation through an O dative bonded structure" is the most favorable adsorption configuration of all the possible ones. We anticipate that the characterization of guanine adsorbed on Ge(100) will contribute to the development of semiconductor-based biodevices.

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Studies on the Adsorbents for Cigarette Filter I. Effect of Pore Voume Distribution and Specific Area of Adsorbents on the Removal Efficiency of Smoke Components by Triple Filter (담배필터용 흡착제에 관한 연구 제1보. 흡착제의 종류와 동공특성이 담배연기성분 제거능에 미치는 영향)

  • 박태무;이영택;김성한;오영일
    • Journal of the Korean Society of Tobacco Science
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    • v.10 no.1
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    • pp.75-82
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    • 1988
  • Cigarettes were made using a triple filter with several porous materials in its cavity. The removal effect of the adsorbents on carbon monoxide and hydrogen cyanide in cigarette smoke was investigated with the variation of their surface area and pore volume distributions. Several attempts were made to activated coconut shell based char under the fixed steam purging rate. 1. The specific surface area increased in number of micropore. It was found for transitional pore to have a little effect on the total surface area. 2. A Small amount of the particulate matter adsorbed on the adsorbents with transitional pores, Zeolite showed a little effect on the carbon monoxide adsorption though its small pore volume, but there was no significant difference in the adsorption capacity zeolite and the others. 3. In the adsorption for hydrogen cyanide as a vapor phase in cigarette smoke, the adsorption effect of the adsorbents increased remarkably with increasing their surface area and number of micropore. It was considered that the adsorbents with small pore volume like molecular seive 4A, in which the capillary diffusion of adsorbates could not be able, would not be effective for the adsorption of hydrogen cyanide.

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Adsorption/desorption of uranium on iron-bearing soil mineral surface

  • Ha, Seonjin;Kyung, Daeseung;Lee, Woojin
    • Advances in environmental research
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    • v.4 no.2
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    • pp.135-142
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    • 2015
  • In this study, we evaluated the adsorption/desorption of uranium (U) in pure soil environment using continuous column reactor. We additionally investigated the adsorption/desorption mechanism of U on vivianite surface in molecular scale using quantum calculation. We observed that below $0.1{\mu}M$ of U was detected after 20 d from U injection ($1{\mu}M$) in adsorption test. However, all of absorbed U was detached from vivianite surface in 24 h by injection of CARB solution ($1.44{\times}10^{-2}M\;NaHCO_3$ and $2.8{\times}10^{-3}M\;Na_2CO_3$). Based on exchange energy calculation, we found that $UO_2(CO_3)_2{^{2-}}$ and $UO_2(CO_3)_3{^{4-}}$ species have higher repulsive energy than $UO_2(OH)_2$ species. The results obtained from this study could be applied to predict the behavior of uranium in contaminated and remediation sites.

Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study

  • Cui, Hao;Zhang, Xiaoxing;Yao, Qiang;Miao, Yulong;Tang, Ju
    • Carbon letters
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    • v.28
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    • pp.55-59
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    • 2018
  • Transition-metal-embedded carbon nanotubes (CNTs) have been accepted as a novel type of sensing material due to the combined advantage of the transition metal, which possesses good catalytic behavior for gas interaction, and CNTs, with large effective surface areas that present good adsorption ability towards gas molecules. In this work, we simulate the adsorption of $O_2$ and $O_3$ onto Rh-doped CNT in an effort to understand the adsorbing behavior of such a surface. Results indicate that the proposed material presents good adsorbing ability and capacities for these two gases, especially $O_3$ molecules, as a result of the relatively large conductivity changes. The frontier molecular orbital theory reveals that the conductivity of Rh-CNT would undergo a decrease after the adsorption of two such oxidizing gases due to the lower electron activity and density of this media. Our calculations are meaningful as they can supply experimentalists with potential sensing material prospects with which to exploit chemical sensors.

Validity of Inter-Particle Models for the Mass-Transfer Kinetics of a Fin-Tube-Type Adsorption Bed (핀-튜브형 흡착탑 해석시 입자간 물질전달 모델의 타당성 검증)

  • Ahn, Sang Hyeok;Hong, Sang Woo;Kwon, Oh Kyung;Chung, Jae Dong
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.25 no.12
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    • pp.660-667
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    • 2013
  • This study presents a numerical investigation of the heat and mass transfer kinetics of a fin-tube-type adsorption bed using a two-dimensional numerical model with silica-gel and water as the adsorbent and refrigerant pair. The performance is strongly affected by the heat and mass transfer in the adsorption bed, but the details of the mass transfer kinetics remain unclear. The validity of inter-particle models used to simulate mass-transfer kinetics were examined, such as a constant pressure model and non-constant pressure model, and the valid ranges of the diffusion ratio for each model are proposed. The COP and SCP have been numerically calculated as the performance indexes according to the diffusion ratio. The constant pressure model, which is commonly used in previous research, was found to be valid only in a limited range of diffusion ratio.

Surface Modification of Polyurethane Using Sulfonated PEG Grafted Polyrotaxane for Improved Biocompatibility

  • Park Hyung Dal;Bae Jin Woo;Park Ki Dong;Ooya Tooru;Yui Nobuhiko;Jang Jun-Hyeog;Han Dong Keun;Shin Jung-Woog
    • Macromolecular Research
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    • v.14 no.1
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    • pp.73-80
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    • 2006
  • Sulfonated poly(ethylene glycol) (PEG-$SO_{3}$) grafted polyrotaxanes (PRx-PEG-$SO_{3}$) were prepared in order to utilize the unique properties of PEG-$SO_{3}$ and the supramolecular structure of PRx, in which PEG-$SO_{3}$ grafted $\alpha$-cyclodextrins ($\alpha$-CDs) were threaded onto PEG segments in a PEG-b-poly(propylene glycol) (PPG)-b-PEG triblock copolymer (Pluronic) chain capped with bulky end groups. Some of the PRx-PEG-$SO_{3}$ demonstrated a higher anticoagulant activity in case of PRx-PEG-$SO_{3}$ (P 105), and compared with the control they showed a lower fibrinogen adsorption in PRx-PEG-$SO_{3}$ (F68) and a higher binding affinity with fibroblast growth factor. The obtained results suggested that polyrotaxane incorporated with PEG-$SO_{3}$ may be applicable to the surface modification of clinically used polymers, especially for blood/cell compatible medical devices.