Biomedical subjects

E G Wang

Publications and source records attributed to E G Wang.

At least 19 recordsLinked to original sources

PubMed2006

Generalized electron counting in determination of metal-induced reconstruction of compound semiconductor surfaces.

Based on theoretical analysis, first-principles calculations, and experimental observations, we establish a generic guiding principle, embodied in generalized electron counting (GEC), that governs the surface reconstruction of compound semiconductors induced by different metal adsorbates. Within the GEC model, the adsorbates serve as an electron bath, donating or accepting the right number of electrons as the host surface chooses a specific reconstruction that obeys the classic electron-counting model. The predictive power of the GEC model is illustrated for a wide range of metal adsorbates.

Journal Article↗

PubMed2006

Two-stage rotation mechanism for group-V precursor dissociation on Si(001).

We report ab initio identification of initial dissociation pathways for Sb4 and Bi4 tetramer precursors on Si(001). We reveal a two-stage double piecewise rotation mechanism for the tetramer to ad-dimer conversion involving two distinct pathways: one along the surface dimer row via a rhombus intermediate state and the other across the surface dimer row via a rotated rhombus intermediate state. These two-stage double piecewise rotation processes play a key role in lowering the kinetic barrier by establishing and maintaining energetically favorable bonding between adatoms and substrate atoms. These results provide an excellent account for experimental observations and elucidate their underlying atomistic origin that may offer useful insights for other surface reaction processes.

Journal Article↗

PubMed2006

Direct synthesis of B-C-N single-walled nanotubes by bias-assisted hot filament chemical vapor deposition.

Direct synthesis of large-scale ternary boron carbonitride single-walled nanotubes (BCN-SWNTs) via a bias-assisted HFCVD process was presented. The BCN-SWNTs were grown over the powdery Fe-Mo/MgO catalyst by using CH4, B2H6, and ethylenediamine vapor as the reactant gases. As high as 16 atom % nitrogen can be incorporated within the nanotube shells, with the boron content in the range of 2-4 atom %. The ternary covalent bonding nature of the BCN-SWNTs was well characterized, and the B, C, and N elemental maps were clearly imaged by energy-filtered transmission electron microscopy.

Journal Article↗

PubMed2005

Ultrathin chromium oxide films on the W(100) surface.

Ultrathin chromium oxide films were prepared on a W(100) surface under ultrahigh-vacuum conditions and investigated in situ by X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and low-energy electron diffraction. The results show that, at Cr coverage of less than 1 monolayer, CrO2 is formed by oxidizing pre-deposited Cr at 300-320 K in approximately 10(-7) mbar oxygen. However, an increase of temperature causes formation of Cr2O3. At Cr coverage above 1 monolayer, only Cr2O3 is detected.

Journal Article↗

PubMed2005

Dissolution dynamics of NaCl nanocrystal in liquid water.

The dissolution dynamics of a NaCl nanocrystal in liquid water was studied using molecular dynamics simulations. The dissolution process was found to start with a Cl(-) ion at a corner site, followed by a Na(+) ion nearby. Both show directional preference in the dissolution path. An ion sequence with alternating charge, i.e., Cl(-), Na(+), Cl(-), Na(+), etc. was found to dominate the dissolution process. This image can be understood from the ionic hydration structures and the Coulomb interaction between the ions.

Journal Article↗

PubMed2005

Dynamic ad-dimer twisting assisted nanowire self-assembly on Si(001).

Based on ab initio total energy calculation, we show that a dynamic ad-dimer twisting assisted (DATA) process plays a crucial role in facilitating a novel structural reconstruction involving surface and subsurface atoms on Si(001). It leads to self-assembly of long nanowires of group-V elements (Bi, Sb) in the trenches of surface dimer vacancy lines (DVLs) with a characteristic double-dimer configuration. The key to this is the lowering of the kinetic barrier by the DATA process in conjunction with a favorable interaction between ad-dimers and step edges in DVLs. The present results provide an excellent account for experimental observations and reveal the atomistic origin and the dynamic transformation path for nanowire self-assembly on Si(001).

Journal Article↗

PubMed2005

Synthesis and oxidation of CeN film: an in situ investigation by electron spectroscopies.

Nearly stoichiometric CeN film is synthesized on a Re(0001) substrate in an ultrahigh vacuum system involving highly active N atoms in the growth process, generated by thermal decomposition of NH3 by use of a hot tungsten filament. The electronic structure of the CeN film as prepared is equivalent to that of a single crystal observed by in situ Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). AES and XPS investigations show that CeN film is directly oxidized to CeO2 after exposure to O2 at room temperature. However, CeN changes into Ce2O3 after annealing in approximately 10(-6) mbar of O2 atmosphere at elevated temperature.

Journal Article↗

PubMed2005

Initial stages of Ti growth on diamond (100) surfaces: from single adatom diffusion to quantum wire formation.

Using first-principles total energy calculations within density functional theory, we investigate the energetics, kinetics, and transport properties of Ti on clean and hydrogen-terminated diamond (100)-2x1 surfaces at increasing Ti coverages. On a clean surface, an isolated Ti adatom prefers to adsorb on top of a C-C dimer row, and also diffuses faster along the dimer row direction. As the Ti coverage increases, the preferred adsorption site converts from an atop site to a site located between the dimer rows. Passivation of the surface at the monohydride coverage not only greatly enhances the Ti mobility, but also weakens the diffusion isotropy. Based on these energetic and kinetic characteristics, we propose a viable approach to fabricate ideal Ti quantum wires on hydrogen-terminated diamond substrates.

Journal Article↗

PubMed2004

Superconductivity modulated by quantum size effects.

We have fabricated ultrathin lead films on silicon substrates with atomic-scale control of the thickness over a macroscopic area. We observed oscillatory behavior of the superconducting transition temperature when the film thickness was increased by one atomic layer at a time. This oscillating behavior was shown to be a manifestation of the Fabry-Perot interference modes of electron de Broglie waves (quantum well states) in the films, which modulate the electron density of states near the Fermi level and the electron-phonon coupling, which are the two factors that control superconductivity transitions. This result suggests the possibility of modifying superconductivity and other physical properties of a thin film by exploiting well-controlled and thickness-dependent quantum size effects.

Journal Article↗

PubMed2004

Contrasting growth modes of Mn on Ge(100) and Ge(111) surfaces: subsurface segregation versus intermixing.

Based on first-principles total energy calculations within density functional theory, we show that a low dose of Mn on Ge(100) initiates in a novel subsurface growth mode, characterized by easy access to, and strong preference for, interstitial sites located between the two topmost Ge layers. Strikingly, such a "subsurfactant action" is preserved even during epitaxial growth of additional Ge layers, analogous to the well-known phenomenon of surfactant action. In contrast, along the [111] orientation, Mn can easily diffuse into the bulk via interstitial sites. These results are discussed within the context of dopant control in dilute magnetic semiconductors.

Journal Article↗

PubMed2004

Mechanism responsible for initiating carbon nanotube vacuum breakdown.

We report a physical mechanism responsible for initiating a vacuum breakdown process of a single carbon nanotube (CNT) during field emission. A quasidynamic method has been developed to simulate the breakdown process and calculate the critical field, critical emission current density and critical temperature beyond which thermal runaway occurs before the CNT temperature reaches its melting point. This model is in good agreement with experiments carried out with a single CNT on a silicon microtip.

Journal Article↗

PubMed2004

Ice tessellation on a hydroxylated silica surface.

The adsorption of water on a fully hydroxylated silica surface is studied by using density-functional total-energy and molecular dynamics calculations. The (100) surface of beta(alpha)-cristobalite covered by geminal hydroxyls has been taken as the substrate. A well-ordered and stable two-dimensional ice with quadrangular and octagonal patterns of hydrogen bond (H-bond) networks-an ice tessellation-is found on the surface for the first time. With the vibrational recognition, the four water molecules in the quadrangle are found to be bonded by strong H bonds while the quadrangles are connected to each other by weak H bonds. This configuration is the most stable, because all the water molecules are fully saturated with H bonds either to each other or to the surface hydroxyl groups.

Journal Article↗

PubMed2004

Adatom ascending at step edges and faceting on fcc metal (110) surfaces.

Using first-principles total-energy calculations, we show that an adatom can easily climb up at monatomic-layer-high steps on several representative fcc metal (110) surfaces via a place exchange mechanism. Inclusion of such novel adatom ascending processes in kinetic Monte Carlo simulations of Al(110) homoepitaxy as a prototypical model system can lead to the existence of an intriguing faceting instability, whose dynamical evolution and kinetic nature are explored in comparison with experimental observations.

Journal Article↗

PubMed2003

Na adsorption on the Si111-(7 x 7) surface: from two-dimensional gas to nanocluster array.

We have systematically investigated Na adsorption on the Si(111)-(7 x 7) surface at room temperature using scanning tunneling microscopy (STM). Below the critical coverage of 0.08 monolayer, we find intriguing contrast modulation instead of localized Na adsorbates, coupled with streaky noise in the STM images, which is accompanied by monotonic work function drop. Above the critical coverage, Na clusters emerge and form a self-assembled array. Combined with first-principles theoretical simulations, we conclude that the Na atoms on the (7 x 7) surface are, while strongly bound ( approximately 2.2 eV) to the surface, highly mobile in "basins" around the Si rest atoms, forming a two-dimensional gas phase at the initial coverage, and that the cluster at the higher coverage consists of six Na atoms together with three Si adatoms.

Journal Article↗

PubMed2003

Nanocrystal formation and faceting instability in Al(110) homoepitaxy: true upward adatom diffusion at step edges and island corners.

Using atomic force microscopy and spot-profile analyzing low energy electron diffraction, we have observed the existence of a striking faceting instability in Al(110) homoepitaxy, characterized by the formation of nanocrystals with well-defined facets. These hut-shaped nanocrystals are over tenfold higher than the total film coverage, and coexist in a bimodal growth mode with much shallower and more populous surface mounds. We further use density functional theory calculations to elucidate the microscopic origin of the faceting instability, induced by surprisingly low activation barriers for adatom ascent at step edges and island corners.

Journal Article↗

PubMed2002

Vibrational recognition of hydrogen-bonded water networks on a metal surface.

The adsorption of water on Pt(111) surface has been studied with ab initio molecular dynamics simulation. Both the energetics and vibrational dynamics indicate the existence of a well-ordered molecular bilayer on this surface. This conclusion is in contrast to the recent result of water on Ru(0001) surface, but agrees with available experiments. In addition, our calculation identifies two different hydrogen bonds in the bilayer. Both can be directly recognized from the vibrational spectra of the OH stretch modes.

Journal Article↗

PubMed2002

Island shape selection in Pt(111) submonolayer homoepitaxy with or without CO as an adsorbate.

The microscopic selection mechanisms of single-layer island shapes in Pt(111) homoepitaxy with or without minute amounts of CO adsorbate have been investigated theoretically. For clean growth, only triangular islands of a fixed orientation are obtained within a wide range of growth temperatures, with the orientation uniquely determined by a disparity in the rates of atom supply to an island corner site from the two island edges defining the corner. This novel picture is further corroborated by growth predictions in the presence of CO, whose preferential decoration of one type of the island edges reverses the intrinsic rate disparity for atom supply, thereby inverting the island orientation.

Journal Article↗

PubMed2001

Decay characteristics of surface mounds with contrasting interlayer mass transport channels.

The decay characteristics of three-dimensional (3D) islands formed on surfaces are investigated theoretically considering two types of interlayer mass transport mechanisms. If an adatom on a given layer can easily descend from any site along the periphery of the layer, an optimal island slope and a constant terrace width will be selected during the decay. In contrast, if the adatom can descend primarily through selective (such as kinked) sites, the decay will be accompanied by a gradual increase in the island slope. These generic conclusions provide the basis for a microscopic understanding of the decay of nanostructures in fcc(111) and fcc(100) metal homoepitaxy and are applicable to other systems as well.

Journal Article↗