• Journal of Electrochemical Science and Technology
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• 제7권3호
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• pp.185-189
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• 2016

The coupled channel method via the Local Reflection (LORE) matrix is employed to investigate the quantum mechanical behavior of the sticking or adsorption and desorption of hydrogen (H) atom on bilayer graphene via the armchair edge. The sticking and desorption probabilities of H are calculated and are plotted against the initial translational energy of H. The sticking probability plot shows a barrierless reaction indicating that hydrogen is easily adsorbed on the armchair edge of graphene. The desorption probability plot, however, shows that desorption of H from the graphene sheets is an activated process with a barrier height of 4.19 eV suggesting that a strong bond exists between the adsorbed H atom and the edge carbon atom. Thus, temperatures higher than the operating temperatures (300 - 1500 K) of conventional fuel cells are necessary to release the adsorbed H atom from the armchair edge of graphene.

• EDISON SW 활용 경진대회 논문집
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• 제3회(2014년)
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• pp.483-484
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• 2014

• Korean Chemical Engineering Research
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• 제52권6호
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• pp.781-788
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• 2014

Polyaniline modified graphene oxide (PANI/GO) composites were synthesized by dilute polymerization technique and were characterized by Fourier transformed infrared spectroscopy (FTIR), Raman spectroscopy, and scanning electron microscopy (SEM). The characterization results indicated that polyaniline molecules were successfully grafted on GO surfaces. The application of PANI/GO composites to the adsorption of heavy metals from aqueous solutions was investigated under ambient conditions. The maximum adsorption capacities of Co(II), Ni(II), Pb(II) and U(VI) ions on PANI/GO composites calculated from Langmuir models are 22.28, 25.67, 65.40 and 1552.31 mg/g, respectively. The excellent adsorption capacity suggests that PANI/GO composites can be applied as a promising adsorbent in heavy metal pollution cleanup in environmental pollution management.

• Carbon letters
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• 제23권
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• pp.30-37
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• 2017

Dyes are widely used in various industries including textile, cosmetic, paper, plastics, rubber, and coating, and their discharge into waterways causes serious environmental and health problems. Four different carbon nanostructures, graphene oxide, oxidized multi-walled carbon nanotubes, activated carbon and multi-walled carbon nanotubes, were used as adsorbents for the removal of Nile Blue A (NBA) dye from aqueous solution. The four carbon nanostructures were characterized by scanning electron microscope and X-ray diffractometer. The effects of various parameters were investigated. Kinetic adsorption data were analyzed using the first-order model and the pseudo-second-order model. The regression results showed that the adsorption kinetics were more accurately represented by the pseudo-second-order model. The equilibrium data for the aqueous solutions were fitted to Langmuir and Freundlich isotherms, and the equilibrium adsorption of NBA was best described by the Langmuir isotherm model. This is the first research on the removal of dye using four carbon nanostructures adsorbents.

• Bulletin of the Korean Chemical Society
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• 제31권10호
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• pp.2809-2812
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• 2010

The Chemical Doping of epitaxial graphene (EG) due to p-tert-butylcalix[4]arene was investigated using high resolution photoemission spectroscopy (HRPES). The measured work function changes verified that increased adsorption of the p-tert-butylcalix[4]arene on EG showed p-type doping characteristics due to charge transfer from the graphene to the p-tert-butylcalix[4]arene through the hydroxyl group. A single oxygen bonding feature associated with the O 1s peak was clearly observed in the core-level spectra, indicating the presence of one equivalent adsorption state.

• 폴리머
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• 제37권2호
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• pp.162-166
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• 2013

고분자 입자에 그래핀이 코팅된 복합체를 제조하고 구조 및 형태변화를 통한 그래핀의 새로운 응용 가능성이 제기되고 있다. 그래핀이 표면에 흡착된 폴리스티렌 복합입자의 물성제어를 위해서, 물 분산매 하에 혼합방법과 혼합순서를 달리하여 흡착반응 시간과 혼합물 내의 순간적인 상대농도 차이를 조사하였다. 유화중합으로 중합된 폴리스티렌 입자에 폴리에틸렌이민을 흡착시켜 표면에 양전하를 갖게 만든 고분자 입자와, 흑연의 화학적 박리법으로 표면에 음전하를 갖도록 제조된 그래핀 산화물과의 서로 반대되는 전하를 갖는 두 입자의 흡착을 유도한 결과 흡착반응 시간이 길수록, 순간 상대 농도차가 클수록 균질하게 표면 코팅이 만들어지고, 응집이 적은 복합 입자를 제조할 수 있었다.

• 한국재료학회지
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• 제26권6호
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• pp.298-305
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• 2016

In this work, recent progress on graphene/metal oxide composites as advanced materials for $HgCl_2$ and $CO_2$ capture was investigated. Density Functional Theory calculations were used to understand the effects of temperature on the adsorption ability of $HgCl_2$ and water vapor on $CO_2$ adsorption on CaO (001) with reinforced carbon-based nanostructures using B3LYP functional. Understanding the mechanism by which mercury and $CO_2$ adsorb on graphene/CaO (g-CaO) is crucial to the design and fabrication of effective capture technologies. The results obtained from the optimized geometries and frequencies of the proposed cluster site structures predicted that with respect to molecular binding the system possesses unusually large $HgCl_2$ ($0.1-0.4HgCl_2g/g$ sorbent) and $CO_2$ ($0.2-0.6CO_2g/g$ sorbent) uptake capacities. The $HgCl_2$ and $CO_2$ were found to be stable on the surface as a result of the topology and a strong interaction with the g-CaO system; these results strongly suggest the potential of CaO-doped carbon materials for $HgCl_2$ and $CO_2$ capture applications, the functional gives reliable answers compared to available experimental data.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.127.1-127.1
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• 2013

Recent experimental evidence that fluorinated graphene creates local magnetic moments around F adatoms has not been supported by semilocal density-functional theory (DFT) calculations where the adsorption of an F adatom induces no magnetic moment in graphene. Here, we show that such an incorrect prediction of the nonmagnetic ground state is due to the self-interaction error inherent in semilocal exchange-correlation functionals. The present hybrid DFT calculation for an F adatom on graphene predicts not only a spin-polarized ground state with a spin moment of ${\sim}1{\mu}_B$, but also a long-range spin polarization caused by the bipartite nature of the graphene lattice as well as the induced spin polarization of the graphene states. The results provide support for the experimental observations of local magnetic moments in fluorinated graphene.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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• pp.181-181
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• 2011

The adsorption structure and the electronic property of azidotrimethyltin (ATMT) on monolayer graphene was investigated using scanning tunneling microscopy and core-level photoemission spectroscopy. We also confirmed the n-type doping effect by scanning tunneling spectroscopy and work function measurements. We will systematically demonstrate the variation of characteristic of graphene induced by the chemical functionalized molecule as we confirmed the results using scanning tunneling microscopy in conjunction with core-level photoemission spectroscopy.

• 센서학회지
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• 제29권4호
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• pp.220-226
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• 2020

Graphene has been widely considered a promising candidate for high-quality chemical sensors, owing to its outstanding characteristics, such as sensitive gas adsorption at room temperature, high conductivity, high flexibility, and high transparency. However, the main drawback of a graphene-based gas sensor is the necessity for external heaters due to its slow response, incomplete recovery, and low selectivity at room temperature. Conventional heating devices have limitations such as large volume, thermal safety issues, and high power consumption. Moreover, metal-based heating systems cannot be applied to transparent and flexible devices. Thus, to solve this problem, a method of supplying the thermal energy necessary for gas sensing via the self-heating of graphene by utilizing its high carrier mobility has been studied. Herein, we provide a brief review of recent studies on self-activated graphene-based gas sensors. This review also describes various strategies for the self-activation of graphene sensors and the enhancement of their sensing properties.