• Carbon letters
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• v.12 no.3
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• pp.167-170
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• 2011

Petroleum pitch-based activated carbons (ACs) were obtained in this work from a combination of pretreatment with different amounts of potassium permanganate ($KMnO_4$) and chemical activation with potassium hydroxide. The surface characteristics of the pitch after the $KMnO_4$ pretreatment were characterized by means of Fourier transform infrared spectroscopy (FT-IR). The structural characteristics of the pitch after the $KMnO_4$ pretreatment were determined by means of X-ray diffraction. The influence of the $KMnO_4$ treatment on the textural properties of the petroleum pitch-based ACs was investigated by means of $N_2$/77K adsorption isotherms. The investigation also involved the use of the Brunauer-Emmett-Teller equation and the Dubinin-Radushkevich method. The FT-IR results show that the pretreatment promotes the formation of surface oxygen functionalities and leads to an increase of the interplanar distance ($d_{002}$) of the functional groups induced between carbon layers. Moreover, the specific surface area of the pitch-based ACs increases in proportion to the amount of $KMnO_4$ pretreatment and reaches its highest value of 2334 $m^2$/g with 2 g of $KMnO_4$ because the surface oxygen groups of the pitch act as an active site during chemical activation.

• Bulletin of the Korean Chemical Society
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• v.24 no.4
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• pp.494-498
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• 2003

The transition from aromatics to heteroaromatics is very attractive since it provides an extremely large structural variety, the chemical functionality as well as the possibilities for electronic tuning of the fullerene properties. A synthesis of heterofullerenes in macroscopic quantities is unknown however the spectrometric detection of $C_{59}B$ has been reported. The electronic structures of $C_{(60-2x)}(BN)_x$ systems, isoelectronic with $C_{60}$ have been explored by Extended Hukel, AM1 and ab initio methods. The polyhedral assembly energy are 7.7 kcal greater than $C_{60}$ when one B-N unit is substituted with C-C unit. The assembly energies are getting bigger if more B-N unit is introduced. We focus on HOMO-LUMO energy gap and the stability effects in $C_{(60-2x)}(BN)_x$ with different compositions of $(BN)_x$ moiety. The bonding properties of the substituent atoms were investigated in detail.

• 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.34 no.7
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• pp.2162-2166
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• 2013

The tailored surface modification of electrode materials is crucial to realize the wanted electronic and electrochemical properties. In this regard, a dexterous carbon encapsulation technique can be one of the most essential preparation methods for the electrode materials for lithium rechargeable batteries. For this purpose, DL-malic acid ($C_4H_6O_5$) was here used as the carbon source enabling an amorphous carbon layer to be formed on the surface of Si nanoparticles at enough low temperature to maintain their own physical or chemical properties. Various structural characterizations proved that the bulk structure of Si doesn't undergo any discernible change except for the evolution of C-C bond attributed to the formed carbon layer on the surface of Si. The improved electrochemical performance of the carbon-encapsulated Si compared to Si can be attributed to the enhanced electrical conductivity by the surface carbon layer as well as its role as a buffering agent to absorb the volume expansion of Si during lithiation and delithiation.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.27 no.5
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• pp.269-275
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• 2014

In this study, chemical bath deposition method was used to grow Zinc sulfide(ZnS) thin films from $NH_3/SC(NH_2)_2/ZnSO_4$ solutions at $90^{\circ}C$. ZnS thin films have been prepared onto ITO glass. The concentrations of $ZnSO_4$ and $NH_3$ were varied while the concentration of Thiourea was fixed in 0.52 M. Structural, optical, electrical characteristic of ZnS thin films were measured. The physical and optical properties of different ZnS thin films were influenced severely by the concentration of the two reacting chemicals. The optimal concentration of $ZnSO_4$ and $NH_3$ was 0.085 M and 1.6 M, respectively.

• 한국신재생에너지학회:학술대회논문집
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• 2009.06a
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• pp.369-372
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• 2009

In the present study, the effect of chemical treatment on graphite nanofibers (GNFs) supports with various concentrated nitric acids was investigated for methanol oxidation. To optimize the electrocatalytic activity, PtRu catalysts were deposited on GNF supports by impregnation method. The surface and structural properties of the GNF supports were characterized by X-ray photoelectron spectroscopy (XPS), element analyzer (EA), and X-ray diffraction (XRD). The morphology of the catalysts was observed by means of transmission electron microscopy (TEM). The electrocatalytic activity of PtRu/GNF catalysts was investigated by cyclic voltammetry measurement. As a result, the oxygen functional groups were introduced on the GNF supports and were gradually increased with increasing of concentrated nitric acid, causing the smaller particle size and higher loading level. And the electrocatalytic activity of the catalysts for methanol oxidation was gradually improved. Consequently, it was found that chemical treatments could influence on surface properties of the carbon supports, resulting in enhancing the electrocatalytic activity of the catalysts for DMFCs.

• Journal of the Korean Magnetic Resonance Society
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• v.21 no.4
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• pp.139-144
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• 2017

Ni(II) containing coenzyme F430 catalyzes the reduction of $CO_2$ in methanogen. Macrocyclic Ni(II) complexes with N,O shiff bases have been received a great attention since metal ions play an important role in the catalysis of reduction. The reducing power of metal complexes are supposed to be dependent on oxidoreduction state of metal ion and structural properties of macrocyclic ring moiety that can enhance electrochemical properties in catalytic process. Six different ${\alpha}$-oximinoketone compounds, precursor of macrocyclic ligands used in $CO_2$ reduction coenzyme F430 model complexes, were synthesized with yields over 90% and characterized by NMR. The molecular geometries of ${\alpha}$-oximinoketone analogues were fully optimized at Beck's-three-parameter hybrid (B3LYP) method in density functional theory (DFT) method with $6-31+G^*$ basis set using the ab initio program. In order to understand molecular planarity and substitutional effects that may enhance reducing power of metal ion are studied by computing the structure-dependent $^{13}C$-NMR chemical shift and comparing with experimental results.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.16 no.12
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• pp.1091-1096
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• 2003

Ion implantation in polymeric materials can induce dramatic chemical modifications, such as bond breaking, cross linking, formation of new chemical products, which have strong influences on the macroscopic properties of the materials. In this study ion implantation was performed onto polymer, PC(polycarbonate), in order to investigate change of the optical transmittance property focusing ultraviolet ray range(200-400nm). PC was irradiated with N, Ar, Kr, Xe ions at the ion energy of 50keV and the dose range of 5 ${\times}$ 10$\^$15/, 1 ${\times}$ 10$\^$16/, 7${\times}$10$\^$16/ ions/$\textrm{cm}^2$. FT-IR, XPS, UV/Vis transmittance spectroscopy measurement technologies were employed to obtain chemical. structural properties and optical transmittance of irradiated polymer. The original PC(unimplanted) is quite transparent that it has more than 88% transmittance in the range UV-A(320∼400nm), but after ion implantation, surface colors were changed to the dark brown and the transmittance of UV ray decreased for all implantation condition, and the absorption edge was shift to visible range with increasing mass of implanted ion species and dose.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.26 no.9
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• pp.641-645
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• 2013

Chalcogenide glass has superior property of optical transmittance in the infrared region. Glass made using Ge-Se how many important optical applications. We have determined the composite formular of $Ge_{0.25}Se_{0.75}$ to be the GeSe chalcogenide glass composition appropriate for IR lenses. Also, the optical, thermal and physical characteristics of chalcogenide glass depended on the composition ratio. GeSe bulk sample is produced using the traditional melt-quenching method. The optical, structural, thermal and physical properties of the compound were measured by using Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), Differential scanning calorimeter (DSC), and Scanning electron microscope (SEM) respectively.

• Current Photovoltaic Research
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• v.1 no.1
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• pp.27-32
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• 2013

We investigated the growth mechanism of amorphous-phase Si thin films in order to improve the film characteristics and circumvent photo-degradation effects by implementation of hot-wire chemical vapor deposition. Amorphous silicon thin films grown in a silane/hydrogen mixture can be decomposed by a resistive heat filament. The structural properties were observed by Raman spectroscopy, FTIR, SEM, and TEM. The electrical properties of the films were measured by photo-conductivity, dark-conductivity, and photo-sensitivity. The contents of Si-H and $Si-H_n$ bonds were measured to be 19.79 and 9.96% respectively, at a hydrogen flow rate of 5.5 sccm, respectively. The thin film has photo-sensitivity of $2.2{\times}10^5$ without a crystalline volume fraction. The catalyst behavior of the hot-wire to decompose the chemical precursors by an electron tunneling effect depends strongly on the hydrogen mixture rate and an amorphous Si thin film is formed from atomic relaxation.