• Rapid Communication in Photoscience
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• v.4 no.3
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• pp.67-69
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• 2015

FTIR spectroscopy has been employed to investigate the variation of anion-water hydrogen bonding in 1-butyl 3-methyl imidazolium tetrafluoroborate ([Bmim][$BF_4$]) ionic liquid caused by addition of organic co-solvents with various polarities. The variation was estimated by probing band shape and intensity of the OH stretching vibration of trace water present in ionic liquid at $3400-3800cm^{-1}$. The presence of polar aprotic co-solvent in ionic liquid dramatically reduces the absorptivity of the OH stretch band, indicating that the co-solvent changes the nature of anion-water hydrogen bond drastically, which might be responsible for the reduction of the viscosity of ionic liquid in the presence of the co-solvent.

• 한국신재생에너지학회:학술대회논문집
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• 2007.11a
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• pp.309-311
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• 2007

Supramolecules containing double hydrogen bonding sites at their both chain ends were self-polymerized to become solid state polymer and were utilized to improve the efficiency of solid state DSSCs. Hydrogen bonding sites were attached at the chain ends of PEG of Mw=2000, such as pyrimethamine and glutaric acid. The solar cell with the solid state supramolecular polymer electrolyte resulted in the overall energy conversion efficiency of 4.63 % with a short circuit current density $(J_{sc})$ of 10.41 $mAcm^{-2}$, an open circuit voltage $V_{oc}$, of 0.71 V and a fill factor (FF) of 0.62 at one sun condition ([oligomer]:[1-methyl-3-propyl imidazolium iodide (MPII)]:$[I_2]$ = 20 : 1 : 0.19, active area = 0.16 $cm^2$, $TiO_2$ layer thickness = 10 ${\mu}m$). The ionic conductivity of the sol id state electrolyte was $5.11{\times}10^{-4}$ (S/cm). The cell performance was characterized by electrochemical impedance spectroscopy and ionic conductivity.

• Elastomers and Composites
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• v.52 no.4
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• pp.295-302
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• 2017

Polyurethane dispersion (PUD) polymers were synthesized by using polyether and polyester polyol. The effect of ionomeric centers, r(NCO / OH) values, chain extender process, and chain extender types on the adhesion properties was investigated. In the case of polyether-based PUD, the ionic center, r value, chain extension process and chain extender types were not adjusted even after adjustment. In the case of polyester-based PUD, when the ionic center content was more than 2.5%, the state of adhesive strength was $2.0kgf/cm^2$ or more. On the other hand, the initial adhesive strength was excellent at about $1kgf/cm^2$ when the ionic center content was over 3.5%. When the r value was 1.3 or more, it was found that the initial bonding strength and the state of bonding strength were excellent at about $1kgf/cm^2$ and $2.1kgf/cm^2$ or higher, respectively. An IR spectrum analysis of the synthesized PUD confirmed that PUD was composed of urethane based on the N-H characteristic peak at $3340cm^{-1}$ and the urethane characteristic peak at $1730cm^{-1}$. Moreover, the characteristic peaks of the isocyanate ($2260cm^{-1}$) used in the preparation of the prepolymer were not observed. As a result, the residual -NCO was not observed, and urethane was completely synthesized.

• Bulletin of the Korean Chemical Society
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• v.34 no.6
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• pp.1814-1822
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• 2013

By using density functional theory calculations, we have performed a systemic study on the electronic structures and topological properties of interactions between N-butylpyridinium nitrate ($[BPY]^+[NO_3]^-$) and thiophene (TS), benzothiophene (BT), dibenzothiophene (DBT), naphthalene (NAP). The most stable structure of $[BPY]^+[NO_3]^-$ ion pair indicates that hydrogen bonding interactions between oxygen atoms on $[NO_3]^-$ anion and C2-H2 on pyridinium ring play a dominating role in the formation of ion pair. The occurrence of hydrogen bonding, ${\pi}{\cdots}$H-C, and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and TS, BT, DBT, NAP has been corroborated at the molecular level. But hydrogen bonding and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and NAP are weak in terms of structural properties and NBO, AIM analyses. DBT is prior to adsorption on N-butylpyridinium nitrate ionic liquid.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3601-3606
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• 2012

Structural properties of a small hexapeptide molecule modeled after metal-binding siderochrome immersed in a room-temperature ionic liquid (RTIL) are studied via molecular dynamics simulations. We consider two different RTILs, each of which is made up of the same cationic species, 1-butyl-3-methylimidazolium ($BMI^+$), but different anions, hexafluorophosphate ($PF_6{^-}$) and chloride ($Cl^-$). We investigate how anionic properties such as hydrophobicity/hydrophilicity or hydrogen bonding capability affect the stabilization of the peptide in RTILs. To examine the effect of peptide-RTIL electrostatic interactions on solvation, we also consider a hypothetical solvent $BMI^0Cl^0$, a non-ionic counter-part of $BMI^+Cl^-$. For reference, we investigate solvation structures in common polar solvents, water and dimethylsulfoxide (DMSO). Comparison of $BMI^+Cl^-$ and $BMI^0Cl^0$ shows that electrostatic interactions of the peptide and RTIL play a significant role in the conformational fluctuation of the peptide. For example, strong electrostatic interactions between the two favor an extended conformation of the peptide by reducing its structural fluctuations. The hydrophobicity/hydrophilicity of RTIL anions also exerts a notable influence; specifically, structural fluctuations of the peptide become reduced in more hydrophilic $BMI^+Cl^-$, compared with those in more hydrophobic $BMI^+PF_6{^-}$. This is ascribed to the good hydrogen-bond accepting power of chloride anions, which enables them to bind strongly to hydroxyl groups of the peptide and to stabilize its structure. Transport properties of the peptide are examined briefly. Translations of the peptide significantly slow down in highly viscous RTILs.

• 한국신재생에너지학회:학술대회논문집
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• 2009.06a
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• pp.24-27
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• 2009

Solid-state dye-sensitized solar cells (DSSCs) have been constructed employing supramolecular electrolytes with multiple hydrogen bonding. A supramolecule was facilely synthesized by one-pot reaction between the amines of methyl isocytosine (MIC) and the epoxy groups of poly(ethylene glycol diglycidyl ether) (PEGDGE) to produce quadruple hydrogen bonding units. Hydrogen bonding interactions and dissolution behavior of salt in supramolecular electrolytes are investigated. The ionic conductivity of the supramolecular electrolytes with ionic liquid, i.e. 1-methyl-3-propylimidazolium iodide (MPII) reaches $8.5{\times}10^{-5}$ S/cm at room temperature, which is higher than that with metal salt (KI). A worm-like morphology is observed in the FE-SEM micrographs of $TiO_2$ nanoporous layer, due to the connection of $TiO_2$ nanoparticles resulting from adequate coating by electrolytes. DSSCs employing the supramolecular electrolytes with MPII and KI exhibit an energy conversion efficiency of 2.5 % and 0.5 %, respectively, at 100 $mW/cm^2$, indicating the importance of the cation of salt. Solar cell performances were further improved up to 3.7 % upon introduction of poly(ethylene glycol dimethyl ether) (PEGDME) with 500 g/mol.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.155-155
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• 2000

Adsorption of alkali metals on a silicon surface has attracted much attention due to its importance in metal-semiconductor interface technology, In particular, the bonding nature of alkali metal to silicon substrate has been a focus of fundamental research efforts. We examined the adsorbed layer of Cs on a Si(111)-(7$\times$) surface by reactive ion scattering (RIS) of hyperthermal Cs+ beams. RIS from a Cs-adsorbed surface gives rise to Cs, representing pickup of surface Cs by Cs projectile. The Cs intensity is proportional to surface coverage of Cs at a high substrate temperature (473 K), while it varies anomalously with Cs coverage at low temperatures (130-170 K). This observation indicates that RIS selectively detects metallic Cs on surface, but discriminates ionic Cs. Transition from ionic to metallic Cs adlayer is driven by thermal diffusion of Cs and their clustering process.

• Elastomers and Composites
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• v.49 no.3
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• pp.191-198
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• 2014

We synthesized thermoplastic polyurethane elastomer(TPU) with acid group and nano zinc oxide, and characterized their mechanical properties, thermal properties, contact angle and grip property. The effects of the zinc oxide content and size on the physical property of TPU were investigated. When the nano zinc oxide was introduced in TPU with acid group, it had excellent mechanical properties and grip by formation of hydrogen and ionic bonding. The wet slip of TPU with zinc oxide was increased continuously as ionization rate increased due to increase of hydrophilicity and ionic interaction, and mechanical properties were increased with increasing ionization rate up to 50%.

• Journal of the Korean Chemical Society
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• v.56 no.6
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• pp.739-750
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• 2012

The purpose of this study is to analyze the cognitive demands level of the description about 'pure substance and mixture compound', 'ionic compound', 'molecule' on the 'science2' textbooks by the 2007 revised curriculum. The three types of Curriculum Analysis Taxonomy have been used to analyze the cognitive demands level of those contents on the 6 kinds of 'science2' textbooks. The first, the cognitive demand level about 'pure substance and mixture compound' on many textbooks is a late concrete operational stage because of class inclusion and hierarchical classification. And the descriptions as 'pure substance is conserved even when mixed with other pure substance' is a early formal operational stage. The second, the cognitive demand level about 'ionic compound' and 'molecule' is a early formal operational stage, because of "Formal modeling is the indirect interpretation of reality by deductive comparison from a postulated system with its own rules" and "Atoms have a structure". The third, the terms as 'ionic bonding', 'ionic compound', 'chemical formula', 'covalent bonding', 'covalent compound', and 'molecular formula' have been used on many 'science2' textbooks. Those terms would be used later on 'chemistry I' and 'chemistry II' in senior high school but not even 'science3' and 'science'.

• Korean Journal of Metals and Materials
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• v.49 no.6
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• pp.425-439
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• 2011

A review of the development history of interatomic potential models for ionic materials was carried out paying attention to the way of future development of an interatomic potential model that can cover ionic, covalent and metallic bonding materials simultaneously. Earlier pair potential models based on fixed point charges with and without considering the electronic polarization effect were found to satisfactorily describe the fundamental physical properties of crystalline oxides (Ti oxides, $SiO_2$, for example) and their polymorphs, However, pair potential models are limited in dealing with pure elements such as Ti or Si. Another limitation of the fixed point charge model is that it cannot describe the charge variation on individual atoms depending on the local atomic environment. Those limitations lead to the development of many-body potential models(EAM or Tersoff), a charge equilibration (Qeq) model, and a combination of a many-body potential model and the Qeq model. EAM+Qeq can be applied to metal oxides, while Tersoff+Qeq can be applied to Si oxides. As a means to describe reactions between Si oxides and metallic elements, the combination of 2NN MEAM that can describe both covalent and metallic elements and the Qeq model is proposed.