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  • 1
    Electronic Resource
    Electronic Resource
    Electric-field-directed growth of aligned single-walled carbon nanotubes (2001)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 79 (2001), S. 3155-3157 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Electric-field-directed growth of single-walled carbon nanotubes by chemical-vapor deposition is demonstrated. The field-alignment effect originates from the high polarizability of single-walled nanotubes. Large induced dipole moments lead to large aligning torques and forces on the nanotube, and prevent randomization of nanotube orientation by thermal fluctuations and gas flows. The results shall open up possibilities in directed growth of ordered molecular-wire architectures and networks on surfaces. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1415412
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  • 2
    Electronic Resource
    Electronic Resource
    Chemical profiling of single nanotubes: Intramolecular p–n–p junctions and on-tube single-electron transistors (2002)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 80 (2002), S. 73-75 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Electrical transport properties of intramolecular p–n–p junctions formed on individual semiconducting carbon nanotubes are reported. Chemical dopant "profiling" along the length of a nanotube divides the nanotube into two p-doped sections and a central n-doped section. The double p–n junctions formed on the nanotube dictate the electrical characteristics of the system. Well-defined and highly reproducible single-electron transistors with much smaller size than the geometrical length of the nanotube are obtained. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1431402
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  • 3
    Electronic Resource
    Electronic Resource
    Electrical measurements of individual semiconducting single-walled carbon nanotubes of various diameters (2000)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 76 (2000), S. 1597-1599 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Individual semiconducting single-walled carbon nanotubes (SWNTs) of various diameters are studied by electrical measurements. Transport through a semiconducting SWNT involves thermal activation at high temperatures, and tunneling through a reverse biased metal–tube junction at low temperatures. Under high bias voltages, current–voltage (I–V) characteristics of semiconducting SWNTs exhibit pronounced asymmetry with respect to the bias polarity, as a result of local gating. SWNT transistors that mimic conventional p-metal-oxide-semiconductor field-effect transistor with similar I–V characteristics and high transconductance are enabled. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.126107
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  • 4
    Electronic Resource
    Electronic Resource
    Molecular photodesorption from single-walled carbon nanotubes (2001)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 79 (2001), S. 2258-2260 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Probing the photoelectrical properties of single-walled carbon nanotubes (SWNTs) led to the discovery of photoinduced molecular desorption phenomena in nanotube molecular wires. These phenomena were found to be generic to various molecule–nanotube systems. Photodesorption strongly depends on the wavelength of light, the details of which lead to a fundamental understanding of how light stimulates molecular desorption from nanotubes. The results have important implications to nanotube-based molecular electronics, miniature chemical sensors, and optoelectronic devices. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1408274
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  • 5
    Electronic Resource
    Electronic Resource
    Alkaline metal-doped n-type semiconducting nanotubes as quantum dots (2000)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 77 (2000), S. 3977-3979 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A 0.4 μm long semiconducting single-walled carbon nanotube is doped into n type by potassium (K) vapor. Electrical measurements of the doped nanotube reveal single-electron charging at temperatures up to 160 K. The K-doped sample manifests as a single quantum dot or multiple quantum dots in series depending on the range of applied gate voltage. This is explained by an inhomogeneous doping profile along the nanotube length. Similarities between K-doped nanotubes and silicon-based quantum dots and the possibility of room-temperature nanotube single-electron transistors are discussed. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1331088
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  • 6
    Electronic Resource
    Electronic Resource
    Gating individual nanotubes and crosses with scanning probes (2000)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 76 (2000), S. 2412-2414 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Atomic force microscopy tips are used to apply point-like local gates to manipulate the electrical properties of individual single-walled carbon nanotubes (SWNT) contacted by Ti electrodes. Depleting a semiconducting SWNT at a local point along its length leads to orders of magnitude decrease of the nanotube conductance, whereas local gating to metallic SWNTs causes no change in the conductance of the system. These results shed light into gating effects on metal-tube contacts. Electrical properties of SWNT crosses are also investigated. Scanning-probe gating is used to identify the metallic or semiconducting nature of the nanotube components in the crosses. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.125611
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  • 7
    Electronic Resource
    Electronic Resource
    Re-examination of the hyperfine structure of 14NH2 (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 3674-3678 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The hyperfine structure of the 14NH2 radical is investigated by means of multireference single and double configuration interaction (MRCI) techniques. Particular attention is paid to the dependence of the coupling constants on the basis set, reference space, and configuration selection energy threshold. It is found that convergence can be obtained only if more than 83 reference configurations are included with an energy threshold of at least 10−7 hartree. With up to 126 reference configurations, an energy threshold smaller than 10−8 hartree and an uncontracted (13s8p2d/8s2p) basis set, the MRCI isotropic couplings (27.44 and −68.47 MHz for N and H, respectively) are in very good agreement with experimental data (27.9 and −67.2 MHz, respectively). © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468597
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  • 8
    Electronic Resource
    Electronic Resource
    CaOH has a second linear structure HCaO (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 10070-10073 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The energy surface of CaOH has been studied and an isomer of the form of HCaO with an electronic state of 2Σ+ symmetry has been found. It is linear with H–Ca and Ca–O bond lengths of 2.021 and 2.002 A(ring), respectively, at the CISD level with a basis set of triple-zeta plus double polarization quality. The overall electronic structure is largely ionic and can be described as H(1s2)Ca(4s0)O(2s22p2x2p2y2p1z) (H−Ca2+O−). The minimum on the energy surface is well defined and the harmonic vibrational frequencies have been calculated. The O–H bond length and stretching frequency and the bending frequency of CaOH have also been calculated and compared with experiment. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469909
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  • 9
    Electronic Resource
    Electronic Resource
    The 2Σ+ states of HBeO, HMgO, and HCaO (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 4055-4060 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The 2Σ+ states of HBeO, HMgO, and HCaO have been studied at the CASSCF level with a basis set of at least triple-zeta plus double polarization quality. The correlation treatment includes the nine valence electrons and ten orbitals resulting in an active space denoted by (622). The optimized structures of HMO (M=Be, Mg, and Ca) are all linear and the energy of HMO lies around 250 kJ/mol (2.6 eV) above that of MOH. The M–O bond length in HMO is predicted to be longer than that in the corresponding MOH by amounts ranging from 0.01 A(ring) to 0.05 A(ring). The M–O stretching frequencies are very similar for the two structures. The H–M bond lengths and stretching frequencies in HMO are very similar to the same properties in the corresponding diatomic molecule. Analysis of the electronic structures suggests that HBeO has two polarized covalent bonds formed from the sp hybrids of Be; HMgO has one covalent bond (between H and Mg) and one ionic bond and can be viewed as (HMg)+O−, HCaO has two ionic bonds represented by H−Ca2+O−. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471218
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  • 10
    Electronic Resource
    Electronic Resource
    The convergence of basis set contractions: A case study of the molecular hyperfine structure of NH〈sup LOCATION="PRE"〉142 (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 6270-6274 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The convergence of basis set contractions is examined at the multireference configuration interaction level with respect to the 14N isotropic hyperfine coupling constant in NH2, a case that is very sensitive to the choice of the basis set and the degree of correlation recovery. The contraction schemes studied include the atomic natural orbital (ANO) approach and two Hartree–Fock-based contraction methods: Raffenetti's general contraction method and the segmented method. Contractions of a (13s8p2d) primitive set ranging from [4s3p2d] to [8s3p2d] in the s space and from [7s3p2d] to [7s6p2d] in the p space are employed. It is found that the ANO contraction yields the smoothest and fastest convergence, although all three contractions converge to the uncontracted results. Thus, the ANO contraction starts to converge at [6s3p2d] while the other two converge at [7s4p2d]. The correlation recovery of the core electrons versus that of the valence electrons is also studied. In contrast to previous speculation, it is found that the correlation due to core electrons is recovered well with the simple choice of the most populated ANOs. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.475133
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