Growth of InN films and nanorods by H-MOVPE

InN films and nanorods were grown by hydride metalorganic vapor phase epitaxy (H-MOVPE) and the effects of growth temperature, and NH₃/TMIn and HCl/TMIn ratios on morphological dependences were studied. The growth habit of InN varied from thin film to microrod to nanorod to no deposition as the growth conditions were changed about transition from growth to etching conditions. The growth and etch regimes were also predicted by chemical equilibrium calculations of In–C–H–Cl–N-inert system. The optical properties of InN nanorods and columnar structured films were measured by room temperature PL and a maximum intensity was observed at 1.08 eV for both structures.     

How can nanobiotechnology oversight advance science and industry: examples from environmental,health, and safety studies of nanoparticles (nano-EHS)

Nanotechnology has great potential to transform science and industry in the fields of energy, material, environment, and medicine. At the same time, more concerns are being raised about the occupational health and safety of nanomaterials in the workplace and the implications of nanotechnology on the environment and living systems. Studies on environmental, health, and safety (EHS) issues of nanomaterials have a strong influence on public acceptance of nanotechnology and, eventually, affect its sustainability. Oversight and regulation by government agencies and non-governmental organizations (NGOs) play significant roles in ensuring responsible and environmentally friendly development of nanotechnology. The EHS studies of nanomaterials can provide data and information to help the development of regulations and guidelines. We present research results on three aspects of EHS studies: physico-chemical characterization and measurement of nanomaterials; emission, exposure, and toxicity of nanomaterials; and control and abatement of nanomaterial releases using filtration technology. Measurement of nanoparticle agglomerates using a newly developed instrument, the Universal NanoParticle Analyzer (UNPA), is discussed. Exposure measurement results for silicon nanoparticles in a pilot scale production plant are presented, as well as exposure measurement and toxicity study of carbon nanotubes (CNTs). Filtration studies of nanoparticle agglomerates are also presented as an example of emission control methods.     

Blocking of coupling to the 0<Subscript>2</Subscript><Superscript>+</Superscript> excitation in <Superscript>154</Superscript>Gd by the [505]11/2<Superscript>-</Superscript> neutron in <Superscript>155</Superscript>Gd

The concept that the first excited 0⁺ states in N = 90 nuclei are not a b \beta -vibration but a second vacuum formed by the combination of the quadrupole pairing force and the low density of oblate orbitals near the Fermi surface is supported by the blocking of this collective mode in ¹⁵⁴Gd from coupling to the [505]11/2^- single-particle quasi-neutron orbital in ¹⁵⁵Gd . The coupling of this orbital to the 2⁺ g \gamma -vibration in ¹⁵⁴Gd is observed since this coupling is not Pauli-blocked.     

Low latency localization of multiple sound sources in reverberant environments

Sound source localization algorithms determine the physical position of a sound source in respect to a listener. For practical applications, a localization algorithm design has to take into account real world conditions like multiple active sources, reverberation, and noise. The application can impose additional constraints on the algorithm, e.g., a requirement for low latency. This work defines the most important constraints for practical applications, introduces an algorithm, which tries to fulfill all requirements as good as possible, and compares it to state-of-the-art sound source localization approaches.     

Terminating high-spin bands in 101Rh

High spin states of ¹⁰¹Rh have been populated using the reaction ⁷⁰Zn+³⁶S at 130 MeV. γ-rays were detected with the EUROGAM2 array. New high-spin bands have been observed in this nucleus up to 45/2⁻, 57/2⁻ and 65/2⁺ states. They have been interpreted using the Nilsson-Strutinsky cranking formalism as terminating configurations. Two of the bands were observed up to the predicted terminating states which are built up from g_9/2 protons as well as d_5/2, g_7/2 and h_11/2 neutrons relative to a ⁹⁰Zr core. Received: 30 October 1998     

Obtaining local reciprocal lattice vectors from finite‐element analysis

Finite‐element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS^® Workbench? software is widely used for such simulations. However, although ANSYS^® Workbench? software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X‐ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double‐crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.     

A Tunable,Fullerene-Based Molecular Amplifier for Vibrational Circular Dichroism

Vibrational circular dichroism (VCD) studies are reported on a chiral compound in which a fullerene C₆₀ moiety is used as an electron acceptor and local VCD amplifier for an alanine-based peptide chain. Four redox states are investigated in this study, of which three are reduced species that possess low-lying electronic states as confirmed by UV/Vis spectroelectrochemistry. VCD measurements in combination with (TD)DFT calculations are used to investigate (i) how the low-lying electronic states of the reduced species modulate the amplification of VCD signals, (ii) how this amplification depends on the distance between oscillator and amplifier, and (iii) how the spatial extent of the amplifier influences amplification. These results pave the way for further development of tailored molecular VCD amplifiers.     

Building Blocks for High-Efficiency Organic Photovoltaics: Interplay of Molecular,Crystal, and Electronic Properties in Post-Fullerene ITIC Ensembles

Accurate single-crystal X-ray diffraction data offer a unique opportunity to compare and contrast the atomistic details of bulk heterojunction photovoltaic small-molecule acceptor structure and packing, as well as provide an essential starting point for computational electronic structure and charge transport analysis. Herein, we report diffraction-derived crystal structures and computational analyses on the n-type semiconductors which enable some of the highest efficiency organic solar cells produced to date, 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene ( ITIC ) and seven derivatives (including three new crystal structures: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-propylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene ( ITIC-C3 ), 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(3-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene ( m -ITIC-C6 ), and 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-butylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene ( ITIC-C4-4F ). IDTT acceptors typically pack in a face-to-face fashion with π–π distances ranging from 3.28–3.95 Å. Additionally, edge-to-face packing is observed with S⋯π interactions as short as 3.21–3.24 Å. Moreover, ITIC end group identities and side chain substituents influence the nature and strength of noncovalent interactions (e. g. H-bonding, π–π) and thus correlate with the observed packing motif, electronic structure, and charge transport properties of the crystals. Density functional theory (DFT) calculations reveal relatively large nearest-neighbor intermolecular π-π electronic couplings (5.85–56.8 meV) and correlate the nature of the band structure with the dispersion interactions in the single crystals and core–end group polarization effects. Overall, this combined experimental and theoretical work reveals key insights into crystal engineering strategies for indacenodithienothiophene (IDTT) acceptors, as well as general design rules for high-efficiency post-fullerene small molecule acceptors.