Zn-Doped Gallium Nitride Nanotubes with Zigzag Morphology

Xie, Xing; Wang, Guan Zhong; Shao, Zhibin; Li, Da Peng

doi:10.1021/jp903079c

Cited by 22 publications

(16 citation statements)

References 40 publications

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“…It is assumed that the corrugated morphology is complied with the Helmholtz principle 41 of minimum energy dissipation, where the nanowires are enclosed by Ga 3+ -terminated (1011) and N 3 -terminated (1011) polar surfaces to maintain the minimization of the energy of the system. 37,42 Initially, the Ga and N atoms are arranged in the c-plane of WZ-GaN with a favorite hexagonal shape, followed by the atoms repeatedly deposited on the previously formed GaN layer. Clearly, the deposition rate of the GaN layer along the c-axis direction is much faster than that on the two (1011) or (1011) sidewalls, leading to the formation of a one-dimensional morphology.…”

Section: Resultsmentioning

confidence: 99%

Alignment control and atomically-scaled heteroepitaxial interface study of GaN nanowires

Liu

Yang

et al. 2017

Nanoscale

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Well-aligned GaN nanowires are promising candidates for building high-performance optoelectronic nanodevices. In this work, we demonstrate the epitaxial growth of well-aligned GaN nanowires on a [0001]-oriented sapphire substrate in a simple catalyst-assisted chemical vapor deposition process and their alignment control. It is found that the ammonia flux plays a key role in dominating the initial nucleation of GaN nanocrystals and their orientation. Typically, significant improvement of the GaN nanowire alignment can be realized at a low NH flow rate. X-ray diffraction and cross-sectional scanning electron microscopy studies further verified the preferential orientation of GaN nanowires along the [0001] direction. The growth mechanism of GaN nanowire arrays is also well studied based on cross-sectional high-resolution transmission electron microscopy (HRTEM) characterization and it is observed that GaN nanowires have good epitaxial growth on the sapphire substrate following the crystallographic relationship between (0001)∥(0001) and (101[combining macron]0)∥(112[combining macron]0). Most importantly, periodic misfit dislocations are also experimentally observed in the interface region due to the large lattice mismatch between the GaN nanowire and the sapphire substrate, and the formation of such dislocations will favor the release of structural strain in GaN nanowires. HRTEM analysis also finds the existence of "type I" stacking faults and voids inside the GaN nanowires. Optical investigation suggests that the GaN nanowire arrays have strong emission in the UV range, suggesting their crystalline nature and chemical purity. The achievement of aligned GaN nanowires will further promote the wide applications of GaN nanostructures toward diverse high-performance optoelectronic nanodevices including nano-LEDs, photovoltaic cells, photodetectors etc.

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Section: Resultsmentioning

confidence: 99%

Alignment control and atomically-scaled heteroepitaxial interface study of GaN nanowires

Liu

Yang

et al. 2017

Nanoscale

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“…Several studies have been recently dedicated to the examination of various types of non-carbon nanotubes [19][20][21][22]. Numerous theoretical and experimental studies on stable tubular structures of the counterparts of groups III and V have been reported [10,23,24]. The tubular structures of atoms counterparts from groups III and V of the periodic table of elements, e.g., boron nitride, aluminum nitride, boron phosphide and aluminum phosphide, are expected to be possible and proper replaces of CNT [25][26][27].…”

Section: Introductionmentioning

confidence: 99%

The analysis of electronic structures, adsorption properties, NBO, QTAIM and NMR parameters of the adsorbed hydrogen sulfide on various sites of the outer surface of aluminum phosphide nanotube: a DFT study

Zaboli

Raissi

2015

Struct Chem

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Density functional theory (DFT) calculations at the B3LYP/6-31G* level are performed to investigate the adsorption properties and quantum molecular descriptors of H 2 S adsorbed on the external surface of (6,0) single-walled aluminum phosphide nanotube (AlPNT). The vibrational frequencies and physical properties such as dipole moment, chemical potential, chemical hardness and chemical electrophilicity of all studied configurations have been systematically explored. Also, the interaction of H 2 S gas and AlPNT on the basis of five reactivity descriptors such as the overall stabilization energy (DE SE(AB) ), the individual energy change of the acceptor (DE A(B) ), the individual energy change of donor (DE B(A) ), the global electrophilicity difference of AlPNT and H 2 S gas (Dw) and charge transfer (DN) has been explained. All adsorptions are electronically harmless processes and venial impacts on the energy gap of the AlP nanotube. The natural bond orbital calculations are done to derive natural atomic orbital occupancies. The H 2 S molecule physisorbed on the surface of pristine AlP nanotube with adsorption energy of about -20 kJ/mol. The AIM theory has been also used to examine the properties of the bond critical points: their electron densities and Laplacians. The adsorption energy of H 2 S molecule is not so large to hinder the recovery of the AlPNT, and therefore, the sensor will possess short recovery times. Electronic structures of pristine AlPNT and adsorbed H 2 S gas AlPNT models are examined by DFT calculations of chemical shielding (CS) parameters of 27 Al and 31 P atoms. The isotropic and anisotropic CS parameters are divided into layers based on the detection of similar electronic environments by the atomic sites of each layer.

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“…To this time, numerous theoretical and experimental studies on stable tubular structures of the counterparts of groups III and V have been reported [11][12][13][14][15][16][17]; however, to the best of our knowledge, the electronic structure of aluminum phosphide nanotube (AlPNT) has not been investigated. It is well known that the systematic computational research could be considered as a pioneer step for the experimental characterization of matters.…”

Section: Introductionmentioning

confidence: 99%

Aluminum phosphide nanotubes: Density functional calculations of aluminum-27 and phosphorus-31 chemical shielding parameters

Mirzaei

2010

Journal of Molecular Structure: THEOCHEM

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Zn-Doped Gallium Nitride Nanotubes with Zigzag Morphology

Cited by 22 publications

References 40 publications

Alignment control and atomically-scaled heteroepitaxial interface study of GaN nanowires

Alignment control and atomically-scaled heteroepitaxial interface study of GaN nanowires

The analysis of electronic structures, adsorption properties, NBO, QTAIM and NMR parameters of the adsorbed hydrogen sulfide on various sites of the outer surface of aluminum phosphide nanotube: a DFT study

Aluminum phosphide nanotubes: Density functional calculations of aluminum-27 and phosphorus-31 chemical shielding parameters

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