• Proceedings of the Korean Vacuum Society Conference
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• 1997.02a
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• pp.165-165
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• 1997

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.76-76
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• 2010

The interaction of hydrogen (H) and ZnO surfaces has been investigated using a temperature programmed desorption (TPD) technique. When the surface is exposed to atomic hydrogen below 400 K, hydrogen is adsorbed on the surface. As the hydrogen exposure increases, bulk diffusion of hydrogen takes place. The existence of surface and bulk hydrogen has been confirmed using X-ray photoelectron spectroscopy (XPS). When the ZnO(000-1) surface dosed with hydrogen is heated, surface hydrogen is desorbed at 432 K and bulk hydrogen is evolved at ~539 K. Diffusion of hydrogen into the ZnO bulk is an activated process, and the activation energy is estimated to be 0.19 eV. Diffusion of hydrogen on the ZnO(10-10) surface is also investigated.

• Transactions of the Korean hydrogen and new energy society
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• v.14 no.4
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• pp.305-312
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• 2003

A study is presented of the adsorption capacity of a number of different activated carbons for hydrogen at 100 bar aad 298 K. The hydrogen adsorption isotherm was measured by isothermal gravimetric analysis, using a microbalance. The effect of activated carbon's porosity on hydrogen adsorption capacity is surveyed. It is concluded that hydrogen adsorption capacity of activated carbon is lineally increased according to the increase of specific surface area and total pore volume, It seems that microporosity is more contributive than mesoporosity. Most of the adsorbed quantity is due to physical adsorption and chemisorption is negligible, In this work, 0.79 wt.% of hydrogen adsorption capacity is reached.

• Journal of Energy Engineering
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• v.23 no.2
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• pp.7-12
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• 2014

Molecular simulation was performed to evaluate the possibility of hydrogen storage of carbon nanotubes. The equilibrium state of hydrogen adsorbed on carbon nanotubes was simulated by grand canonical Monte Carlo method at constant temperature and pressure. The interaction energy between hydrogen molecule and carbon nanotube was calculated by Lennard-Jones potential model. According to the interaction energy calculated, more hydrogen molecules were adsorbed on the inside than the outside of nanotubes. Whereas the adsorption strength was higher outside than inside. Adsorption capacity was investigated for various temperature and pressure. The maximum capacity of carbon nanotube for hydrogen storage was 2.5wt% at 200 K and 200 bar.

• 한국신재생에너지학회:학술대회논문집
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• 2006.06a
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• pp.9-12
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• 2006

We performed molecular dynamics simulations on the conventional MOF, IRMOF-14 and the catenated MOF with two MOF chains, IRMOF13, to find out rational design and synthetic strategies toward efficient hydrogen storage materials. The molecular dynamics calculations were done using Universal force fields and the analysis of result was performed during the NVE dynamics after preliminary NVT dynamics at 77K. The results showed the density of adsorbed hydrogen molecules was increased in the various pores created by catenation of MOFs while the large amount of volume in conventional MOF was not effectively utilized to store hydrogen. Those calculation results commonly showed the proper control of pore si Be for hydrogen storage into MOF by catenation would be one of the efficient ways to increase hydrogen capacity of MOFs.

• Journal of the Semiconductor & Display Technology
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• v.7 no.3
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• pp.35-39
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• 2008

We study the interaction of acetone molecule $[(CH_3)_2CO]$ on Si(001) surface using density functional theory. An acetone molecule is adsorbed on a Si atom of the Si dimer of the Si(001) surface. The adsorption of the acetone molecule on the Si atom at lower height between the two Si atoms of the dimer is more favorable than that on the Si atoms at upper height. Then we calculate an energy variation of dissociation and four-membered ring structures of the acetone molecule adsorbed on the Si surface. Total energy difference between the two structures is about 0.05 eV, indicating that the two structures are almost equally stable. Energy barrier exists when a hydrogen atom is dissociated and adsorbed on the other Si atom of the dimer, while energy barrier does not exist when the adsorbed acetone molecule changes to four-membered ring structure, except for the rotation of the acetone molecule along z-direction. Therefore, four-membered ring structure is kinetically more favorable than the dissociation structure when the acetone molecule is adsorbed on the Si(001) surface.

• Journal of the Korean Chemical Society
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• v.19 no.5
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• pp.317-324
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• 1975

The adsorptions of gaseous $H_2O\;and\;D_2O\;on\;Na^+-,\;Ca^{2+}-,\;and\;Al^{3+}$ montmorillonites at various temperatures were undertaken. Break down of ir hydroxyl stretching bands into four Gaussian components was made by means of manual technique. Resonance theory of water to form silanol hydroxyl group was supported by $3625cm^{-1}$ band for OH and $2680cm^{-1}$ band for OD which depend on amounts of water adsorbed. The broad bands at about $3400 cm^{-1}\;and\;2475cm^{-1}$ were assigned to stretching band of silanol OH hydrogen bonded to adsorbed water. The prominent $3230 cm^{-1}$ band together with component around $2345 cm^{-1}$ were attributed to adsorbed $H_2O\;and\;D_2O$ respectively. The chemical nature of the hydrogen bonding between adsorbed water and neighboring surface OH was explained adequately in terms of electrostatic interaction.

• Transactions of the Korean hydrogen and new energy society
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• v.12 no.1
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• pp.65-73
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• 2001

Carbon nanotubes were prepared by catalytic decomposition of $CH_4$ using Ni-MgO catalyst at various temperatures. $H_2$ effect on crystallinity and morphology during the synthesis of carbon nanotubes was investigated. The crystallinity and morphology were characterized by SEM, TEM, XRD, TGA, and Raman spectroscopy. In addition, the hydrogen adsorption properties were evaluated by PCT measurement in a hydrogen pressure range between 1 and 120 bar. The optimal synthesis temperature of carbon nanotubes was elevated in the presence of $H_2$, although significant difference of carbon nanotube morphology was not found. It is believed that hydrogen served as self-cleaner mops the amorphous carbon on the catalyst surface. It is proved that the carbon nanotubes have multi-walled structure, short length with a outer diameter of 20 ~40nm and open tips after elimination of the catalyst. The amount of hydrogen adsorbed in carbon nanotubes is increased as the pressure of hydrogen is increased and reaches 1.3 wt % under the hydrogen pressure of 120 bar at room temperature.

• Transactions of the Korean hydrogen and new energy society
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• v.24 no.6
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• pp.550-557
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• 2013

A glucose hydrothermal method is described for preparing hollow carbon spheres (HCS), which have a regular morphology and a high Brunauer-Emmett-Teller surface area of 28.6 m2/g. Scanning electron microscopy shows that they have thin shells and diameter between 2 and 8 ${\mu}m$. The HCSs were modified for the enhanced room temperature hydrogen storage by employing Ni nanoparticles on their surface. The Ni-decorated HCSs were characterized by X-ray diffraction, transmission electron microscopy coupled with an energy dispersive spectroscope, and an inductively coupled plasma spectrometer, indicating that fine and well-distributed Ni nanoparticles can be accomplished on the HCSs. The hydrogen uptake capacity in HCSs with and without Ni loading was evaluated using a high-pressure microbalance at room temperature under a hydrogen pressure upto 9 MPa. As much as 1.23wt.% of hydrogen can be stored when uniformly distributed Ni nanoparticles are formed on the HCSs, while the hydrogen uptake capacity of as-received HCSs was 0.41 wt.%. For Ni nanoparticle-loaded HCSs, hydrogen molecules could be easily dissociated into atomic hydrogen and then chemically adsorbed by the sorbents, leading to an enhanced capacity for storing hydrogen.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.249-249
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• 2012

The interaction of hydrogen with ZnO single crystal surfaces, ZnO(0001) and ZnO(000-1), has been investigated using a temperature programmed desorption (TPD) technique. Both surfaces do not interact with molecular hydrogen. When the ZnO(0001) is exposed to atomic hydrogen at 370 K, hydrogen is adsorbed in the surface and desorption takes place at around 460 K and 700 K. In ZnO(000-1), the desorption peaks are observed at around 440 K and 540 K. In both surfaces, as the atomic hydrogen exposure is further increased, the intensity of the low-temperature peak reaches maximum but the intensity of the high-temperature peak keeps increasing. In ZnO(000-1), the existence of hydrogen bonding to the surface O atoms and the bulk hydrogen has been confirmed by using X-ray photoelectron spectroscopy (XPS). When the Zn(0001) surface is exposed to atomic hydrogen at around 200 K, a new $H_2$ desorption peak has been observed at around 250 K. The intensity of the desorption feature at 250 K is much greater than that of the desorption feature at 460 K. This low-temperature desorption feature indicates hydrogen is bonded to surface Zn atoms. We will report the effect of the ZnO structure on the adsorption and bulk diffusion of hydrogen.