• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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• pp.215-215
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• 2011

The bonding configuration and adsorption stability of alanine and leucine adsorbed on Ge(100)-2${\times}$1 surface were investigated and compared using core-level photoemission spectroscopy (CLPES) and density functional theory (DFT) calculations. The bonding configuration, stability, and adsorption energies were evaluated for two different coverage levels. In both cases, the C 1s, N 1s, and O 1s core-level spectra at a low coverage (0.30 ML) indicated that the carboxyl and amine groups participated in bonding with the Ge(100) surface in an "O-H dissociated-N dative bonded structure". At high coverage levels (0.60 ML), both this structure and an "O-H dissociation bonded structure" were present. As a result, we found that alanine adsorbs more easily (lower adsorption energy) than leucine on Ge(100) surfaces due to less steric hindrance of side chain.

• Bulletin of the Korean Chemical Society
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• 제35권12호
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• pp.3567-3570
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• 2014

The most stable adsorption structures and energies of four tautomers of 3-methyl-5-pyrazolone (keto-1, enol-1, keto-2, and enol-2) on Ge(100) surfaces were investigated using density functional theory (DFT) calculations. The enol-1, keto-2, and enol-2 tautomers, but not the keto-1 tautomer, were found to exhibit stable adsorption structures on the Ge(100)-$2{\times}1$ surface. Of these three adsorption structures, that of enol-2 is the most stable.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.189.2-189.2
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• 2014

The most stable adsorption structures and energies of four tautomerized forms (keto-1, enol-1, keto-2, and enol-2) of 3-methyl 5-pyrazolone (MP) adsorbed on Ge(100) surfaces have been investigated by Density Functional Theory (DFT) calculation method. Among its four tautomerized forms, we confirmed three tautomerized forms except keto-1 form show the stable adsorption structures when they adsorbed on the Ge(100)-$2{\times}1$ surface as we calculate the respective stable adsorption structures, activation barrier, transition state energy, and reaction pathways. Moreover, among three possible adsorption structures, we acquired that enol-2 form has most stable adsorption structure with O-H dissociated N-H dissociation bonding structure.

• Bulletin of the Korean Chemical Society
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• 제34권4호
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• pp.1055-1060
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• 2013

The adsorption structures of threonine on the Ge(100) surface were investigated using core-level photoemission spectroscopy (CLPES) in conjunction with density functional theory (DFT) calculations. CLPES measurements were performed to identify the experimentally preferred adsorption structure. The preferred structure indicated the relative reactivities of the carboxyl and hydroxymethyl groups as electron donors to the Ge(100) surface during adsorption. The core-level C 1s, N 1s, and O 1s CLPES spectra indicated that the carboxyl oxygen competed more strongly with the hydroxymethyl oxygen during the adsorption reaction. Three among six possible adsorption structures were identified as energetically favorable using DFT calculation methods that considered the inter- and intra-bonding configurations upon adsorption onto the Ge(100) surface. These structures were O-H dissociated N dative inter bonding, O-H dissociated N dative intra bonding, O-H dissociation bonding. One of the adsorption structures: O-H dissociated N dative inter bonding was predicted to be stable in light of the transition state energies. We thus confirmed that the most favorable adsorption structure is the O-H dissociated N dative-inter bonding structure using CLPES and DFT calculation.

• 한국표면공학회지
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• 제31권6호
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• pp.345-358
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• 1998

The evolution of surface roughness and morphology in epitaxial Si and $Si_{0.7}Ge{0.3}$ alloys grown by UHV opm-beam sputter deposition onto nominally-singular, [100]-, and [110]-mi-scut Si(001) was investigated by stomic force microscopy and trasmission electron microscopy. The evolution of surface roughness of epitaxial Si films grown at $300^{\circ}C$ is inconsistent with conventional scaling and hyperscaling laws for kineti roughening. Unstable growth leading to the formation of mounds separated by a well-defined length scale is observed on all substrates. Contraty to previous high-temperature growth results, the presence of steps during deposition at $300^{\circ}C$ increases the tendency toward unstable growth resulting in a much earlier development of mound structures and larger surface roughnesses on vicival substrates. Strain-induced surface roughening was found to dominate in $Si_{0.7}Ge{0.3}$ alloys grown on singular Si(001) substrates at $T_S\ge450^{\circ}C$ where the coherent islands are prererentially bounded along <100> directions and eshibt {105} facetting. Increasing the film thickness above critical values for strain relaxation leads to island coalescence and surface smoothening. At very low growth temperatures ($T_s\le 250^{\circ}C$), film surfaces roughen kinetically, due to limited adatom diffusiviry, but at far lower rates than in the higher-temperature strain-induced regime. There is an intermediate growth temperature range, however, over which alloy film surfaces remain extremely smooth even at thicknesses near critical values for strain relaxation.

• Bulletin of the Korean Chemical Society
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• 제31권11호
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• pp.3217-3220
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• 2010

The electronic structures and bonding configuration of histidine on Ge(100) have been investigated with various sample treatments using core-level photoemission spectroscopy (CLPES). Interpretation of the Ge 3d, C 1s, N 1s, and O 1s core level spectra being included in these systems revealed that both the imino nitrogen in the imidazole ring and the carboxyl group in the glycine moiety concurrently participate in the adsorption of histidine on a Ge(100) surface at 380 K. Moreover, we could clearly confirm that the imino nitrogen with a free lone pair in the imidazole group adsorbs on Ge(100) more strongly than the carboxyl group in the glycine moiety by examining systems annealed at various temperatures.

• 한국표면공학회지
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• 제29권5호
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• pp.407-414
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• 1996

We have investigated the effects of H atoms on thin film growth processes and surface reactions. In the oxidation of Si, Si surfaces are passivated against the $O_2$ adsorption by terminating dangling bonds with H atoms. Moreover, the existence of Si-H bonds on Si(100) surfaces enhances the structural relaxation of Si-O-Si bonds due to a charge transfer from Si-Si back bonds. In the heteroepitaxial growth of a Si/Ge/Si(100) system, H atoms suppress the segregation of Ge atoms into Si overlayers since the exchange of Ge atoms with Si atoms bound with H must be accompanied with breaking of Si-H bonds. However, 3-dimensional island growth is also promoted by atomic H irradiation, which is considered to result from the suppression of surface migration of adsorbed reaction species and from the lowering of step energies by the H termination of dangling bonds.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.369-369
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• 2010

Adsorption and ordering of methionine molecules on Ge(100) surface have been studied using high resolution photoemission spectroscopy and low-energy electron diffraction (LEED) to investigate the adsorption structure as a function of coverage. Analysis of C 1s, S 2p, N 1s, and O 1s core levels reveals quite different according to methionine coverage. We found that the relative population of the two types of thiolates induces a structural change in the ordering from $2\;{\times}\;1$ to $1\;{\times}\;1$. Such an unusual evolution of the methionine adsorption on the Ge(100) surface is discussed in relation to chemical reactions and possible molecular rearrangement on the surface.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.137-137
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• 2013

The most stable adsorption structures and their corresponding energies of 4-pyridone, 4-hydroxypyridine, 2-pyridone and 2-hydroxypyridine have been investigated by Density Functional Theory (DFT) calculation method and high-resolution photoemission spectroscopy (HRPES). We confirmed that between the two reaction centers of 4- and 2-pyridone, only O atom of carbonyl functional group can act as a Lewis base and thus, O dative bonding structure is the most stable. On the other hand, we clarified that both the two reaction centers (the cyclic N atom and the O atom of hydroxyl functional group) of 4- and 2-hydroxypyridine (tautomers of 4- and 2-pyridone) can successfully function as a Lewis base. Through the interpretation of the N 1s and O 1s core level spectra obtained using HRPES, we could confirm the electronic structures and bonding configurations of these molecules with a coverage dependence on the Ge(100) surface.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.581-586
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• 2014

The most stable adsorption structures and their corresponding energies of 4-pyridone, 4-hydroxypyridine, 2-pyridone and 2-hydroxypyridine have been investigated by Density Functional Theory (DFT) calculation and high-resolution photoemission spectroscopy (HRPES). We confirmed that between the two reaction centers of 4- and 2-pyridone, only O atom of carbonyl functional group can act as a Lewis base while both the two reaction centers of 4- and 2-hydroxypyridine (tautomers of 4- and 2-pyridone) can successfully function as a Lewis base. On the other hand, owing to their molecular structures, there is a remarkable difference between the adsorption structures of 4- and 2-hydroxypyridine. Through the analysis of the N 1s and O 1s core level spectra obtained using HRPES, we also could corroborate that two different adducts coexist on the surface at room temperature due to their activation energy investigating the coverage dependent variation of bonding configurations when these molecules are adsorbed on the Ge(100) surface.