• Title/Summary/Keyword: Small organic molecules

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Recent Progress in the Development of Small Organic Molecules for White Organic Light Emitting Devices

  • Raja, Inam ul Haq;Jung, Se-Jin;Lee, So-Ha
    • Journal of the Korean Applied Science and Technology
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    • v.25 no.1
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    • pp.91-106
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    • 2008
  • Development of white light emitting materials has been an interesting area for scientists and scientists have developed many organic, polymer and inorganic materials for white electroluminescent devices. Among them, single component small molecules gave best results in terms of efficiency, simplicity of device fabrication, and CIE values. Therefore, this review covers detailed discussion about syntheses of small compounds used in white organic light emitting devices until 2007.

Optical study of environmental and light induced effects on 8-hydroxyquinoline derivative metal complex small molecules thin films

  • Shukla, Vivek Kumar;Datta, Debjit;Kumar, Satyendra
    • 한국정보디스플레이학회:학술대회논문집
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    • 2004.08a
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    • pp.629-631
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    • 2004
  • We report on the synthesis and film formation on a variety of small molecules such as $Alq_3$, $Znq_2$, and $Inq_3$, used as light emitting material in organic light emitting diodes (OLEDs) . The organic materials are usually susceptible to environmental aging and photo-oxidation, which influences their viability for commercial utility. Here, we examine the effects of oxygen and light on these organic materials to enhance the efficiency and lifetime of OLEDs. Optical techniques - ellipsometry, photoluminescence and infrared spectroscopies- have been used to study of environmental and light induced effects on 8-hydroxyquinoline derivative metal complex small molecules thin films

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Electronic and carrier transport properties of small molecule donors

  • Valencia-Maturana, Ramon;Pao, Chun-Wei
    • Coupled systems mechanics
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    • v.6 no.1
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    • pp.75-96
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    • 2017
  • As electron donor/acceptor materials for organic photovoltaic cells, small-molecules donors/acceptor are attracting more and more attention. In this work, we investigated the electronic structures, electrochemical properties, and charge carrier transport properties of four recently-synthesized small-molecule donors/acceptor, namely, DPDCPB (A), DPDCTB (B), DTDCPB (A1), and DTDCTB (B1), by a series of ab initio calculations. The calculations look into the electronic structure of singly oxidized and reduced molecules, the first anodic and cathodic potentials, and the electrochemical gaps. Results of our calculations were in accord with those from experiments. Using Marcus theory, we also computed the reorganization energies of hole/electron hoppings, as well as hole/electron transfer integrals of multiple possible molecular dimer configurations. Our calculations indicated that the electron/hole transport properties are very sensitive to the relative separations/orientations between neighboring molecules. Due to high reorganization energies for electron hopping, the hole mobilities in the molecular crystals are at least an order of magnitude higher than the electron mobilities.

Radiolabeling Methods Used for Preparation of Molecular Probes (분자영상 방사성추적자의 생산에 사용되는 방사성동위 원소 표지방법)

  • Choe, Yearn-Seong
    • The Korean Journal of Nuclear Medicine
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    • v.38 no.2
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    • pp.121-130
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    • 2004
  • Molecular imaging visualizes cellular processes at a molecular or genetic level in living subjects, and diverse molecular probes are used for this purpose. Radiolabeling methods as well as radioisotopes are very important in preparation of molecular probes, because they can affect the biodistribution in tissues and the excretion route. In this review, the molecular probes are divided into small organic molecules and macromolecules such as peptides and proteins, and their commonly used radiolabeling methods are described.

Impact of Cyano and Fluorine Group Functionalization on the Optoelectronic and Photovoltaic Properties of Donor-Acceptor-π-Acceptor Benzothiadiazole Derived Small Molecules: A DFT and TD-DFT Study

  • Prabhat Gautam;Anurag Gautam;Neeraj Kumar
    • Korean Journal of Materials Research
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    • v.33 no.6
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    • pp.236-241
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    • 2023
  • Solar cells based on p-conjugated donor-acceptor (D-A) organic molecular systems are a promising alternative to conventional electrical energy generation. D-A molecular systems, which have a triphenylamine (TPA) moiety linked with a benzothiadiazole (BTD) moiety, open the potential development of new small molecule donors for bulk heterojunction (BHJ) solar cells. Here, a series of donor-acceptor-π-acceptor (D-A-π-A) small molecule donors (SMD) derived from triphenylamine (TPA) donor and benzothiadiazole (BTD) acceptor building blocks, were designed for BHJ organic solar cells. The small molecule donors SMD1-4 were studied using density functional theory (DFT) and time dependent-DFT (TDDFT) methods, to understand the effect of cyano and fluorine group functionalization on their properties. The effect of structure alteration by cyano and fluorine group functionalization on the optoelectronic properties, the calculated highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) and the HOMO-LUMO gaps were theoretically explored. The Voc (open-circuit photovoltage) and fill factor (FF) for SMD1-4 were obtained with a PC71BM acceptor, which showed that these organic small molecules are potential small molecule donors for organic bulk heterojunction solar cells.

Isoindigo Based Small Molecules for High-Performance Solution-Processed Organic Photovoltaic Devices

  • Elsawy, W.;Lee, C.L.;Cho, S.;Oh, S.H.;Moon, S.H.;Elbarbary, A.;Lee, Jae-Suk
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.245.2-245.2
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    • 2013
  • Solution processed organic photovoltaic devices have relatively less attention compared to polymer photovoltaic devices even though they have high possibility to be developed because they have both advantages of polymer and organic, such as solution processable, no synthetic batch dependence of photovoltaic performance, high purity and high charge carrier mobility as well as relatively high efficiency (~7%). In addition, solution processed organic photovoltaic devices have an advantage of easiness to study the relationship between the molecular structure and photovoltaic performance due to its simple structure. In this work, five isoindigo based low band gap donor-acceptor-donor (D-A-D) small molecules with different electron donating strength were synthesized for investigating the relationship between the molecular structure and photovoltaic performance, especially, investigating the effects of different electron donating effect of donor group in isoindigo backbone to photovoltaic device performance. The variation of electron donating strength of donor group strongly affected the optical, thermal, electrochemical and photovoltaic device performances of isoindigo organic materials. The highest power conversion efficiency of ~3.2% was realized in bulk heterojuction photovoltaic device consisted of the ID3T as donor and PC70BM as acceptor. This work demonstrates the great potential of isoindigo moieties as electron deficient units as well as guideline for synthesis of donor-acceptor-donor (D-A-D) small molecules for realizing highly efficient solution processed organic photovoltaic devices.

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Two-dimensional Surface Structures of Arenthiols Studied by STM

  • Gwon, Gi-Yeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.89-89
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    • 2012
  • Arrangement of individual atoms and molecules with atomic precision and understanding the resulting properties at the molecular level are ultimate goals of chemistry, biology, and materials science. For the past three decades, scanning probe microscopy has made strides towards these goals through the direct observation of individual atoms and molecules, enabling the discovery of new and unexpected phenomena. This talk will discuss the origin of forces governing motion of small organic molecules and their extended self-assembly into two-dimensional surface structures by direct observation of individual molecules using scanning tunneling microscopy (STM).

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Second Harmonic Generation study on the transport dynamics of small molecules across liposome bilayers

  • Kim, Joon-Heon;Kim, Mahn-Won
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.79-79
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    • 2003
  • SHG (Second harmonic generation) can be used to probe the surface of centrosymmetric particles suspended in bulk isotropic solution, because it is forbidden in centrosymmetric media under the dipole approximation. Using this technique, we can study the transport dynamics of small organic dye molecules across liposome bilayers. Because molecules adsorbed on the outer layer are in opposite direction with that on the inner layer by symmetry, the SH field is proportional to the difference between the number density of dye molecules on both sides of the bilayer, and the time dependence of the SH intensity is related to the time constant of the molecular transportation of dye molecules across liposome bilayers.

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Mass spectrometry based on nanomaterials (나노물질을 이용한 질량분석 기술 개발동향)

  • Park, Jong-Min;Noh, Joo-Yoon;Kim, Moon-Ju;Pyun, Jae-Chul
    • Ceramist
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    • v.21 no.3
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    • pp.249-269
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    • 2018
  • In conventional MALDI-TOF mass spectrometry, analyte molecules are known to be ionized by mixing with organic matrix molecules. As the organic matrix molecules are made into small fragments, they generate unreproducible mass peaks such that MALDI-TOF mass spectrometry is nearly impossible in the low mass-to-charge (m/z) range (< 1000). Additionally, the dried sample mixed with matrix were made as inhomogeneous crystal on metal plate. When the laser radiation was made on the sample crystal, the amount of generated sample ion was observed to be quite different according to the radiation point. Therefore, the quantitative analysis was very difficult even for the sample spots at the same concentration for the conventional MALDI-TOF mass spectrometry. In this work, we present laser desorption/ionization (LDI) mass spectrometry based on solid-matrices for the quantitative analysis of small molecules in the low m/z range by using MALDI-TOF mass spectrometry: (1) Carbon based nanostructures; (2) Semiconductor based nanomaterials; (3) Metal based nanostructures.

The Coordination of Pyridyl-N to Pentacyanoferrate for the Electrochemical Detecting Small Organic Molecules

  • Choi, Young-Bong;Jeon, Won-Yong;Kim, Hyug-Han
    • Bulletin of the Korean Chemical Society
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    • v.34 no.2
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    • pp.595-599
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    • 2013
  • The coordination of pyridyl-N to pentacyanoferrate for the detection of small organic antigens in solution is presented. The unique contribution of this paper is the direct conjugation of pyridyl-N in small organic antigens to pentacyanoferrate. Pentacyanoferrate is promising as an electrochemical label owing to its good electro-chemical properties, which can be utilized to generate an electrical signal in homogeneous electrochemical immunoassays. The facilely synthesized pyridyl-N to pentacyanoferrate was characterized by the electrochemical and spectroscopic methods. Hippuric acid (HA) has been detected competitively on the interaction of free HA and pentacyanoferrate-(4-aminomethylpyridine-hippuric acid) (Fe-HA) to its antibody, with the detection limit of 0.50 ${\mu}g\;mL^{-1}$. While pentacyanoferrate-based immunoassay is in its simplicity and infancy, the proposed immunoassay offers attractive opportunities for developing pyridyl-N-based the electrochemical detection of small organic antigens in the health care area.