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Dapeng Yu

Publications and source records attributed to Dapeng Yu.

13 recordsLinked to original sources
PubMed2006

Anisotropic and passivation-dependent quantum confinement effects in germanium nanowires: a comparison with silicon nanowires.

Electronic structures of hydrogen-passivated germanium nanowires (GeNWs) along the [100], [110], [111], and [112] directions are studied by using the density functional theory within the generalized gradient approximation. The band gaps of the fully relaxed GeNWs along the [100], [110], and [111] directions are all direct at the smaller sizes, while those of the wires along the [112] direction remain indirect. The magnitude of the band gaps of the GeNWs for a given size approximately follows the order of E(g)[100] > E(g)[111] > E(g)[112] > E(g)[110]. Compared with silicon nanowires, GeNWs exhibit stronger quantum confinement effects. Replacement of H by the more stable ethine group is found to lead to a weakening of the quantum confinement effects of GeNWs.

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PubMed2006

Structural and electronic properties of fluorinated boron nitride nanotubes.

The effects of F doping on the structural and electronic properties of the (5, 5) single-walled boron nitride nanotube (BNNT) are investigated by using the density functional theory method. The chemiadsorption of F maintains the hexagonal BN network, increases the lattice constant, and introduces acceptor impurity states. On the other hand, substitutional doping of F destroys the hexagonal BN network, decreases the lattice constant, but does not alter the insulating feature of the BNNT. The observed insulator-to-semiconducting transition, a lattice contraction, and a highly disordered atom arrangement in the sidewall of BNNTs upon F doping appear to be most reasonably attributed to a codoping of dominating substitutional F over chemiabsorbed F, which can induce deep donor impurity states, a lattice contraction, and a destruction of the hexagonal BN network simultaneously.

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PubMed2006

Selective interaction of large or charge-transfer aromatic molecules with metallic single-wall carbon nanotubes: critical role of the molecular size and orientation.

Using first principles calculations, we report for the first time that large nearly neutral aromatic molecules, such as naphthalene and anthracene, and small charge-transfer aromatic molecules, such as TCNQ and DDQ, interact more strongly with metallic single-wall carbon nanotubes (SWNTs) versus their semiconducting counterparts as the molecular orientation of DDQ is taken into account. Hence two new mechanisms for separating metallic and semiconducting SWNTs via noncovalent pi-pi stacking or charge-transfer interaction are suggested.

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PubMed2006

Evolution of the electronic properties of metallic single-walled carbon nanotubes with the degree of CCl2 covalent functionalization.

The changes in energetic, structural, and electronic properties of the metallic (5,5) single-walled carbon nanotube (SWNT) with the degree of sidewall covalent functionalization of CCl(2) are investigated extensively by using density functional theory calculations. The saturation concentration of CCl(2) covalent functionalization is predicted to be 33.3%. The cycloadducts always adopt an open structure. A band gap opens as the functionalization concentration reaches 11% and then basically increases with increasing functionalization concentration. These results are in agreement with available experiments and can be applied to accurately predict the band gap of metallic SWNTs produced by the HiPco method at a given CCl(2) functionalization concentration.

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PubMed2005

Fabrication of polydiacetylene nanowires by associated self-polymerization and self-assembly processes for efficient field emission properties.

The paper described here concerns a challenge of general interest for producing a novel structure of a polymer aggregate, the achievement of nanowires with controlled diameters. We provide a strategy for fabricating a supramolecular polymer, in which ordered polydiacetylene nanowires can be obtained by associated self-polymerization and self-assembly processes. The polymer nanowire film shows excellent field emission properties with the turn-on field of 8.2 V/mum at 10 muA/cm2 and the maximum current density of 5 mA/cm2 at an applied field of 15 V/mum.

Acetylene↗
PubMed2005

Field emission properties of large-area nanowires of organic charge-transfer complexes.

In this contribution, large-area organic charge-transfer complex (AgTCNQ and CuTCNQ) nanowires were synthesized by organic vapor-solid-phase reaction at mild experimental conditions. These nanowires were facilitated on the surface of Cu and Ag foils or different kinds of substrates coated with a layer of silver and copper on a large scale. The excellent field emission properties were observed in the as-grown AgTCNQ and CuTCNQ nanowires. They should have great potential in vacuum device applications.

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PubMed2004

Reversibly switchable DNA nanocompartment on surfaces.

Biological macromolecules have been used to fabricate many nanostructures, biodevices and biomimetics because of their physical and chemical properties. But dynamic nanostructure and biomachinery that depend on collective behavior of biomolecules have not been demonstrated. Here, we report the design of DNA nanocompartments on surfaces that exhibit reversible changes in molecular mechanical properties. Such molecular nanocompartments are used to encage molecules, switched by the collective effect of Watson-Crick base-pairing interactions. This effect is used to perform molecular recognition. Furthermore, we found that 'fuel' strands with single-base variation cannot afford an efficient closing of nanocompartments, which allows highly sensitive label-free DNA array detection. Our results suggest that DNA nanocompartments can be used as building blocks for complex biomaterials because its core functions are independent of substrates and mediators.

Base Pair Mismatch↗
PubMed2004

Amphoteric and controllable doping of carbon nanotubes by encapsulation of organic and organometallic molecules.

By using first principles calculations, we show that fine tuning of both p- and n-type doping can be realized on single-wall carbon nanotubes (SWNTs) by tuning the electron affinity or ionization potential of the organic and organometallic molecules encapsulated inside SWNTs. This novel type of SWNT-based material offers great promise for molecular electronics because of its air stability, synthetic simplicity and the abundance of organic and organometallic molecules.

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PubMed2004

TEM investigation on the growth mechanism of carbon nanotubes synthesized by hot-filament chemical vapor deposition.

Carbon nanotubes (CNTs) were synthesized using hot-filament chemical vapor deposition on Ni film-coated Si substrate. The CNTs were well-aligned perpendicular to the substrate. The as-grown CNTs were bamboo-like in their morphology, and were investigated using SEM and high-resolution transmission electron microscopy (HRTEM). The SEM and HRTEM studies show that the both ends of a CNT contain metallic catalytic particles, which is different from results previously reported. Our analysis results provide strong evidence that the metallic catalyst remains in a liquid state during nanotube growth. The upward-growth pulling force of the CNT layer elongates the liquid nanoparticles, which are finally broken into two parts. One part remains at the substrate surface (base of the CNTs) and is responsible for the catalytic growth of the CNTs. The other part is enclosed at the tip of the CNTs and is inactive during CNT growth.

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PubMed2003

Synthesis of organic one-dimensional nanomaterials by solid-phase reaction.

The synthesis of anthracene (AN) nanowires and perylene (PY) nanorods on the basis of solid-phase organic reactions under controlled conditions is discussed, and the structures are confirmed by SEM, TEM, and XRD. The dimension-dependent emission properties of the AN nanowires and PY nanorods is observed. This approach is expected to form a new general route for the controlled morphosynthesis of organic molecular materials in restricted dimensions, with controlled size and shape, the solid-state physical properties of which are of great interest. It should have outstanding potential in providing customized 1D nanomaterials for a broad range of applications for molecule devices and nanoscience and is expected to be applicable other functionalized nanomaterials (i.e., organic, inorganic, and polymer).

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PubMed2002

Imaging as-grown [60]fullerene nanotubes by template technique.

In this contribution we have developed a useful and experimentally easy way to use C60 powder to directly fabricate C60 nanotubes with a mondisperse size distribution and uniform orientation. The structure of C60 nanotubes was confirmed by SEM, TEM, and FT-IR.

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