Advances in nanodevices and nanofabrication: Selected publications from symposium of nanodevices and nanofabrication in ICMAT2011

A variety of devices at nanometer scale / molecular scale for electronic, photonics, optoelectronics, biological and mechanical applications have been created through a rapid development of materials and fabrication technology. Further development of nanodevices strongly depends on the state-of-the-art knowledge of science and technology at the sub-100nm length scale. This symposium proceedings serves as a nice platform on which scientists and engineers can present and highlight some of the key advances in the following topics: Electronic and optoelectronic devices of nanometer scale / molecular scale. Nanomechanics and NEMS. Electromechanical coupled devices. Manipulation and aligning processes at nanometer scale / molecular scale. Quantum phenomena. Modeling of nanodevices and nanostructures. Fabrication and property characterization of nanodevices. Nanofabrication with focused beam technology, e.g., focused ion beam, laser and proton beam. © 2012 by Pan Stanford Publishing Pte. Ltd. All rights reserved.

First-principles energetics of water clusters and ice: a many-body analysis.

Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Recent work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water.

Development and characterization of polymorphic microsatellite loci in the endangered Yangtze finless porpoise (Neophocaena phocaenoides asiaeorientalis)

The finless porpoise (Neophocaena phocaenoides) is one of the smallest cetacean species widely distributed in the shallow coastal waters of the Indo-Pacific Oceans. The population size of the Yangtze subspecies (N. p. asiaeorientalis) has sharply decreased in the last two decades and access to objective data on its population structure and genetic diversity would be of great assistance for their proper management. Here we report on the isolation of nine polymorphic microsatellite using the "Fast Isolation by AFLP of Sequences Containing repeats" (FIASCO) protocol. Polymorphism was assessed using 30 porpoise individuals randomly sampled in the Yangtze River. The number of alleles per locus varies from 2 to 9, with an average value of 5.56, whereas the ranges of observed and expected heterozygosi ties were 0.300-0.633 (mean 0.496) and 0.473-0.804 (mean 0.659), respectively.

Contributions of phosphatase and microbial activity to internal phosphorus loading and their relation to lake eutrophication

Phosphatase may accelerate the process of lake eutrophication through improving phosphorus bioavailability. This mechanism was studied in three Chinese eutrophic shallow lakes (Lake Taihu, Lake Longyang,and Lake Lianhua). Phosphatase activity was related to the concentration of soluble reactive phosphorus (SRP) and chlorophyll a. Stability of dissolved phosphatase in reverse micelles may be attributed to molecular size, conformation and active residues of the enzyme. At the site with Microcystis bloomed in Lake Taihu, dissolved phosphatase activity was higher and more stable in micelles, SRP concentrations were lower in interstitial water, the contents of different forms of phosphorus and the amounts of aerobic bacteria were lower while respiration efficiency was higher in sediments. Phosphobacteria, both inorganic and organic and other microorganisms were abundant in surface water but rare in sediments. Therefore, internal phosphorus may substantially flux into water column by enzymatic hydrolysis and anaerobic release, together with mobility of bacteria, thereby initiating the bloom. In short, biological mechanism may act in concert with physical and chemical factors to drive the internal phosphorus release and accelerate lake eutrophication.

Thermal annealing effect on InAs/InGaAs quantum dots grown by atomic layer molecular beam epitaxy

The effect of rapid thermal annealing on the InAs quantum dots (QDs) grown by atomic layer molecular beam epitaxy and capped with InGaAs layer has been investigated using transmission electron microscopy and photoluminescence (PL). Different from the previously reported results, no obvious blueshift of the PL emission of QDs is observed until the annealing temperature increases up to 800 degreesC. The size and shape of the QDs annealed at 750 degreesC have hardly changed indicating the relatively weak Ga/In interdiffusion, which is characterized by little blueshift of the PL peak of QDs. The QD size increases largely and a few large clusters can be observed after 800 degreesC RTA, implying the fast interdiffusion and the formation of InGaAs QDs. These results indicate that the delay of the blueshift of the PL peak of QDs is correlated with the abnormal interdiffusion process, which can be explained by two possible reasons: the reduction of excess-As-induced defects and the redistribution of In, Ga atoms around the InAs QDs resulted from the sub-monolayer deposition of InGaAs capping layer. (C) 2004 Elsevier B.V. All rights reserved.

Optical investigation on the annealing effect and its mechanism of GaInAs/GaNAs quantum wells

Thermal annealing of GaInAs/GaNAs quantum wells (QWs) as well as other nitrogen- and indium-contained QW structures grown by molecular beam epitaxy and its effect on optical properties are investigated. The photoluminescence (PL) and photovoltaic (PV) spectra of annealed GaInAs/GaNAs QWs show that the luminescence properties become degraded due to the N diffusion from the GaNAs barrier layers to the GaInAs well layer. Meantime, the annealing-induced blueshift of the PL peak in this QW system is mainly induced by the change of In distribution, suggesting that the In reorganization is greatly assisted by the N-induced defects. The elucidation of annealing effect in GaInAs/GaNAs QW samples is helpful for a better understanding to the annealing effect in the GaInNAs/GaAs QWs. (C) 2003 Elsevier Science B.V. All rights reserved.

A method to obtain ground state electroluminescence from 1.3 mu m emitting InAs/GaAs quantum dots grown by molecular beam epitaxy

1.3 mum emitting InAs/GaAs quantum dots (QDs) have been grown by molecular beam epitaxy and QD light emitting diodes (LEDs) have been fabricated. In the electroluminescence spectra of QD LEDs, two clear peaks corresponding to the ground state emission and the excited state emission are observed. It was found that the ground state emission could be achieved by increasing the number of QDs contained in the active region because of the state filling effect. This work demonstrates a way to control and tune the emitting wavelength of QD LEDs and lasers.

Electroluminescence and photoluminescence of Si/SiGe self-assembly quantum dot structures

Comparative electroluminescence (EL) and photoluminescence (PL) measurements were performed on Si/Si0.6Ge0.4 self-assembly quantum dots (QDs) structures. The samples were grown pseudomorphically by molecular beam epitaxy, and PIN diodes for electroluminescence were fabricated. Assisted TEM pictures shows the SiGe self-assembly QDs are platelike. And it showed that the diameters of QDs are in range from 40nm to 140nm with the most in 120nm. Both EL and PL has a wide luminescence peak due to wide distribution of QDs dimensions. At low temperature (T=14K), EL peak has a red shift compared to the corresponding PL peak. Its full-width at half-maximum (FWHM) is about 97meV, a little smaller than that of corresponding PL peak. The reasons of position and FWHM changes of EL peak from QDs have been discussed.

Statistical analysis of microscale gas flows and stock price changes

First, recent studies on the information preservation (IP) method, a particle approach for low-speed micro-scale gas flows, are reviewed. The IP method was validated for benchmark issues such as Couette, Poiseuille and Rayleigh flows, compared well with measured data for typical internal flows through micro-channels and external flows past micro flat plates, and combined with the Navier-Stokes equations to be a hybrid scheme for subsonic, rarefied gas flows. Second, the focus is moved to the microscopic characteristic of China stock market, particularly the price correlation between stock deals. A very interesting phenomenon was found that showed a reverse transition behaviour between two neighbouring price changes. This behaviour significantly differs from the transition rules for atomic and molecular energy levels, and it is very helpful to understand the essential difference between stock markets and nature.

Dislocation nucleation governed softening and maximum strength in nano-twinned metals

In conventional metals, there is plenty of space for dislocations-line defects whose motion results in permanent material deformation-to multiply, so that the metal strengths are controlled by dislocation interactions with grain boundaries(1,2) and other obstacles(3,4). For nano-structured materials, in contrast, dislocation multiplication is severely confined by the nanometre-scale geometries so that continued plasticity can be expected to be source-controlled. Nano-grained polycrystalline materials were found to be strong but brittle(5-9), because both nucleation and motion of dislocations are effectively suppressed by the nanoscale crystallites. Here we report a dislocation-nucleation-controlled mechanism in nano-twinned metals(10,11) in which there are plenty of dislocation nucleation sites but dislocation motion is not confined. We show that dislocation nucleation governs the strength of such materials, resulting in their softening below a critical twin thickness. Large-scale molecular dynamics simulations and a kinetic theory of dislocation nucleation in nano-twinned metals show that there exists a transition in deformation mechanism, occurring at a critical twin-boundary spacing for which strength is maximized. At this point, the classical Hall-Petch type of strengthening due to dislocation pile-up and cutting through twin planes switches to a dislocation-nucleation-controlled softening mechanism with twin-boundary migration resulting from nucleation and motion of partial dislocations parallel to the twin planes. Most previous studies(12,13) did not consider a sufficient range of twin thickness and therefore missed this strength-softening regime. The simulations indicate that the critical twin-boundary spacing for the onset of softening in nano-twinned copper and the maximum strength depend on the grain size: the smaller the grain size, the smaller the critical twin-boundary spacing, and the higher the maximum strength of the material.

Synthesis, characterization, photophysics and electrophosphorescent applications of phosphorescent platinum cyclometalated complexes with 9-arylcarbazole moieties

A series of cyclometalating platinum(II) complexes with substituted 9-arylcarbazolyl chromophores have been synthesized and characterized. These complexes are thermally stable and most of them have been characterized by X-ray crystallography. The phosphorescence emissions of the complexes are dominated by (MLCT)-M-3 excited states. The excited state properties of these complexes can be modulated by varying the electronic characteristics of the cyclometalating ligands via substituent effects, thus allowing the emission to be tuned from bright green to yellow, orange and red light. The correlation between the functional properties of these metallophosphors and the results of density functional theory calculations was made. Because of the propensity of the electron-rich carbazolyl group to facilitate hole injection/transport, the presence of such moiety can increase the highest occupied molecular orbital levels and improve the charge balance in the resulting complexes relative to the parent platinum(II) phosphor with 2-phenylpyridine ligand.

Phosphorescence Color Tuning by Ligand, and Substituent Effects of Multifunctional Iridium(III) Cyclometalates with 9-Arylcarbazole Moieties

The synthesis, isomeric studies, and photophysical characterization of a series of multifunctional cyclometalated iridium(III) complexes containing a fluoro- or methyl-substituted 2[3-(N-plienylcarbazolyl)]pyridine molecular framework are presented. All of the complexes are thermally stable solids and highly efficient electrophosphors. The optical, electrochemical, photo-, and electrophosphorescence traits of these iridium phosphors have been studied in terms of the electronic nature and coordinating site of the aryl or pyridyl ring substituents. The correlation between the functional properties of these phosphors and the results of density functional theory calculations was made. Arising from the propensity of the electron-rich carbazolyl group to facilitate hole injection/transport, the presence of such a moiety can increase the highest-occupied molecular orbital levels and improve the charge balance in the resulting complexes relative to the parent phosphor with 2-phenylpyridine ligands. Remarkably, the excited-state properties can be manipulated through ligand and substituent effects that allow the tuning of phosphorescence energies from bluish green to deep red.

Synthesis and Stabilization of Novel Aliphatic Polycarbonate from Renewable Resource

A novel aliphatic polycarbonate from renewable resource was prepared by copolymerization of furfuryl glycidyl ether and CO2 using rare earth ternary catalyst; its number-average molecular weight (M-n) reached 13.3 x 10(4) g/mol. The furfuryl glycidyl ether and CO2 copolymer (PFGEC) was easy to become yellowish at ambient atmosphere due to post polymerization cross-linking reaction oil the furan ring; the gel content was 17.2 wt % after 24 h exposure to air at room temperature. PFGEC could be stabilized by addition of antioxidant 1010 (tetrakis[methylene (3.5-di(tert-butyl)-4-hydroxhydrocinnamate)]methane) in 0.5-3 wt % after copolymerization. The Diels-Alder (DA) reaction between N-phenylmaleimide and the pendant furan ring was also effective for the stabilization of PFGEC by reducing the amount of furan ring and introducing bulky groups into PFGEC. The cyclization degree could reach 72.1% when the molar ratio of N-phenylmaleimide to furan ring was 3: 1, and no gel was observed after 24 h exposure to air. The glass transition temperature (T-g) of PFGEC was 6.8 degrees C, and it increased to 40.3 degrees C after DA reaction (molar ratio of N-phenylmaleimide to furan ring was 3: 1).