@misc{4340,
  abstract     = {More and more libraries starting semantic web projects. The question about the license of the data
is not discussed or the discussion is deferred to the end of project. in this paper is discussed why
the question of the license is so important in context of the semantic web that is should be one of the
first aspects in a semantic web project. Also it will be shown why a public domain weaver is the
only solution that fulfill the the special requirements of the semantic web and that guaranties the
reuseablitly of semantic library data for a sustainability of the projects. },
  author       = {Danowski, Patrick},
  booktitle    = {European Library Automation Group (ELAG) 2010},
  publisher    = {Elsevier},
  title        = {{Open bibliographic data}},
  year         = {2010},
}

@inproceedings{4341,
  abstract     = {More and more libraries starting semantic web projects. The question about the license of the data is not discussed or the discussion is deferred to the end of project. in this paper is discussed why the question of the license is so important in context of the semantic web that is should be one of the first aspects in a semantic web project. Also it will be shown why a public domain weaver is the only solution that fulfill the the special requirements of the semantic web and that guaranties the reuseablitly of semantic library data for a sustainability of the projects.},
  author       = {Patrick Danowski},
  publisher    = {IFLA},
  title        = {{Step one: blow up the silo! - Open bibliographic data, the first step towards Linked Open Data}},
  year         = {2010},
}

@article{1721,
  author       = {Anna Kicheva and Briscoe, James},
  journal      = {PLoS Biology},
  number       = {7},
  publisher    = {Public Library of Science},
  title        = {{Limbs made to measure}},
  doi          = {10.1371/journal.pbio.1000421},
  volume       = {8},
  year         = {2010},
}

@article{1722,
  abstract     = {Morphogens are secreted signalling molecules that act in a graded manner to control the pattern of cellular differentiation in developing tissues. An example is Sonic hedgehog (Shh), which acts in several developing vertebrate tissues, including the central nervous system, to provide positional information during embryonic patterning. Here we address how Shh signalling assigns the positional identities of distinct neuronal subtype progenitors throughout the ventral neural tube. Assays of intracellular signal transduction and gene expression indicate that the duration as well as level of signalling is critical for morphogen interpretation. Progenitors of the ventral neuronal subtypes are established sequentially, with progressively more ventral identities requiring correspondingly higher levels and longer periods of Shh signalling. Moreover, cells remain sensitive to changes in Shh signalling for an extended time, reverting to antecedent identities if signalling levels fall below a threshold. Thus, the duration of signalling is important not only for the assignment but also for the refinement and maintenance of positional identity. Together the data suggest a dynamic model for ventral neural tube patterning in which positional information corresponds to the time integral of Shh signalling. This suggests an alternative to conventional models of morphogen action that rely solely on the level of signalling.},
  author       = {Dessaud, Éric and Ribes, Vanessa and Balaskas, Nikolaos and Yang, Linlin and Pierani, Alessandra and Anna Kicheva and Novitch, Bennett and Briscoe, James and Sasai, Noriaki},
  journal      = {PLoS Biology},
  number       = {6},
  publisher    = {Public Library of Science},
  title        = {{Dynamic assignment and maintenance of positional identity in the ventral neural tube by the morphogen sonic hedgehog}},
  doi          = {10.1371/journal.pbio.1000382},
  volume       = {8},
  year         = {2010},
}

@article{1752,
  abstract     = {The epitaxial growth of germanium on silicon leads to the self-assembly of SiGe nanocrystals by a process that allows the size, composition and position of the nanocrystals to be controlled. This level of control, combined with an inherent compatibility with silicon technology, could prove useful in nanoelectronic applications. Here, we report the confinement of holes in quantum-dot devices made by directly contacting individual SiGe nanocrystals with aluminium electrodes, and the production of hybrid superconductor- semiconductor devices, such as resonant supercurrent transistors, when the quantum dot is strongly coupled to the electrodes. Charge transport measurements on weakly coupled quantum dots reveal discrete energy spectra, with the confined hole states displaying anisotropic gyromagnetic factors and strong spin-orbit coupling with pronounced dependences on gate voltage and magnetic field.},
  author       = {Georgios Katsaros and Spathis, Panayotis N and Stoffel, Mathieu and Fournel, Frank and Mongillo, Massimo and Bouchiat, Vincent and Lefloch, François and Rastelli, Armando and Schmidt, Oliver G and De Franceschi, Silvano},
  journal      = {Nature Nanotechnology},
  number       = {6},
  pages        = {458 -- 464},
  publisher    = {Nature Publishing Group},
  title        = {{Hybrid superconductor-semiconductor devices made from self-assembled SiGe nanocrystals on silicon}},
  doi          = {10.1038/nnano.2010.84},
  volume       = {5},
  year         = {2010},
}

@article{1753,
  abstract     = {We investigate electronic transport in n-i-n GaN nanowires with and without AlN double barriers. The nanowires are grown by catalyst-free, plasma-assisted molecular beam epitaxy enabling abrupt GaN/AlN interfaces as well as longitudinal n-type doping modulation. At low temperature, transport in n-i-n GaN nanowires is dominated by the Coulomb blockade effect. Carriers are confined in the undoped middle region, forming single or multiple islands with a characteristic length of ∼100 nm. The incorporation of two AlN tunnel barriers causes confinement to occur within the GaN dot in between. In the case of a 6 nm thick dot and 2 nm thick barriers, we observe characteristic signatures of Coulomb-blockaded transport in single quantum dots with discrete energy states. For thinner dots and barriers, Coulomb-blockade effects do not play a significant role while the onset of resonant tunneling via the confined quantum levels is accompanied by a negative differential resistance surviving up to ∼150 K.},
  author       = {Songmuang, Rudeeson and Georgios Katsaros and Monroy, Eva and Spathis, Panayotis N and Bougerol, Catherine and Mongillo, Massimo and De Franceschi, Silvano},
  journal      = {Nano Letters},
  number       = {9},
  pages        = {3545 -- 3550},
  publisher    = {American Chemical Society},
  title        = {{Quantum transport in GaN/AlN double-barrier heterostructure nanowires}},
  doi          = {10.1021/nl1017578},
  volume       = {10},
  year         = {2010},
}

@article{17639,
  abstract     = {It has been proposed that primordial gas in early dark matter halos, with virial temperatures above 10^4 K, can avoid fragmentation and undergo rapid collapse, possibly resulting in a supermassive black hole (SMBH). This requires the gas to avoid cooling and to remain at temperatures near T=10^4 K. We show that this condition can be satisfied in the presence of a sufficiently strong primordial magnetic field, which heats the collapsing gas via ambipolar diffusion. If the field has a strength above B = 3.6 (comoving) nG, the collapsing gas is kept warm (T=10^4K) until it reaches the critical density n_crit=10^3 cm^{-3} at which the roto-vibrational states of H_2 approach local thermodynamic equilibrium. H_2-cooling then remains inefficient, and the gas temperature stays near 10^4K, even as it continues to collapse to higher densities. The critical magnetic field strength required to permanently suppress H_2-cooling is somewhat higher than upper limit of approx. 2 nG from the cosmic microwave background (CMB). However, it can be realized in the rare (2-3)-sigma regions of the spatially fluctuating B-field; these regions contain a sufficient number of halos to account for the z=6 quasar BHs.},
  author       = {Sethi, Shiv and Haiman, Zoltán and Pandey, Kanhaiya},
  issn         = {0004-637X},
  journal      = {The Astrophysical Journal},
  number       = {1},
  pages        = {615--621},
  publisher    = {American Astronomical Society},
  title        = {{Supermassive black hole formation at high redshifts through a primordial magnetic field}},
  doi          = {10.1088/0004-637x/721/1/615},
  volume       = {721},
  year         = {2010},
}

@article{17648,
  abstract     = {In the absence of H_2 molecules, the primordial gas in early dark matter halos with virial temperatures just above T_vir >~ 10^4 K cools by collisional excitation of atomic H. Although it cools efficiently, this gas remains relatively hot, at a temperature near T ~ 8000 K, and consequently might be able to avoid fragmentation and collapse directly into a supermassive black hole (SMBH). In order for H_2--formation and cooling to be strongly suppressed, the gas must be irradiated by a sufficiently intense ultraviolet (UV) flux. We performed a suite of three--dimensional hydrodynamical adaptive mesh refinement (AMR) simulations of gas collapse in three different protogalactic halos with T_vir >~ 10^4 K, irradiated by a UV flux with various intensities and spectra. We determined the critical specific intensity, Jcrit, required to suppress H_2 cooling in each of the three halos. For a hard spectrum representative of metal--free stars, we find (in units of 10^{-21} erg s^{-1} Hz^{-1} sr^{-1} cm^{-2}) 10^4<Jcrit<10^5, while for a softer spectrum, which is characteristic of a normal stellar population, and for which H^{-} --dissociation is important, we find 30<Jcrit<300. These values are a factor of 3--10 lower than previous estimates. We attribute the difference to the higher, more accurate H_2 collisional dissociation rate we adopted. The reduction in Jcrit exponentially increases the number of rare halos exposed to super--critical radiation. When H_2 cooling is suppressed, gas collapse starts with a delay, but it ultimately proceeds more rapidly. The infall velocity is near the increased sound speed, and an object as massive as M ~ 10^5 solar mass may form at the center of these halos, compared to the M ~ 10^2 solar mass stars forming when H_2--cooling is efficient.},
  author       = {Shang, Cien and Bryan, Greg L. and Haiman, Zoltán},
  issn         = {0035-8711},
  journal      = {Monthly Notices of the Royal Astronomical Society},
  number       = {2},
  pages        = {1249--1262},
  publisher    = {Oxford University Press},
  title        = {{Supermassive black hole formation by direct collapse: keeping protogalactic gas H2 free in dark matter haloes with virial temperatures T_vir > rsim10^4 K }},
  doi          = {10.1111/j.1365-2966.2009.15960.x},
  volume       = {402},
  year         = {2010},
}

@inproceedings{17664,
  abstract     = {Supermassive black holes (SMBHs) are common in local galactic nuclei, and SMBHs as massive as several billion solar masses already exist at redshift z=6. These earliest SMBHs may arise by the combination of Eddington-limited growth and mergers of stellar-mass seed BHs left behind by the first generation of metal-free stars, or by the rapid direct collapse of gas in rare special environments where the gas can avoid fragmenting into stars. In this contribution, I review these two competing scenarios. I also briefly mention some more exotic ideas and how the different models may be distinguished in the future by LISA and other instruments.},
  author       = {Haiman, Zoltán and Whalen, Daniel J. and Bromm, Volker and Yoshida, Naoki},
  booktitle    = {AIP Conference Proceedings},
  issn         = {0094-243X},
  location     = {Austin, TX, United States},
  number       = {1},
  pages        = {215--224},
  publisher    = {American Institute of Physics},
  title        = {{The origin and detection of high-redshift supermassive black holes}},
  doi          = {10.1063/1.3518857},
  volume       = {1294},
  year         = {2010},
}

@article{17665,
  abstract     = {Finding electromagnetic (EM) counterparts of future gravitational wave (GW) sources would bring rich scientific benefits. A promising possibility, in the case of the coalescence of a supermassive black hole binary (SMBHB), is that the prompt emission from merger-induced disturbances in a supersonic circumbinary disc may be detectable. We follow the post-merger evolution of a thin, zero-viscosity circumbinary gas disc with two-dimensional simulations, using the hydrodynamic code flash. We analyse perturbations arising from the 530 km s−1 recoil of a 106 M⊙ binary, oriented in the plane of the disc, assuming either a non-radiative gamma-law or a pseudo-isothermal equation of state for the gas. We find that a single-armed spiral shock wave forms and propagates outwards, sweeping up ∼40 per cent of the mass of the disc. The morphology and evolution of the perturbations agrees well with those of caustics predicted to occur in a collisionless disc. Assuming that the disc radiates nearly instantaneously to maintain a constant temperature, we estimate the amount of dissipation and corresponding post-merger light curve. The luminosity rises steadily on the time-scale of months, and reaches few ×1043 erg s−1, corresponding to ≈10 per cent of the Eddington luminosity of the central SMBHB. We also analyse the case in which gravitational wave emission results in a 5 per cent mass loss in the merger remnant. The mass loss reduces the shock overdensities and the overall luminosity of the disc by ≈15–20 per cent, without any other major effects on the spiral shock pattern.},
  author       = {Corrales, Lia R. and Haiman, Zoltán and MacFadyen, Andrew},
  issn         = {0035-8711},
  journal      = {Monthly Notices of the Royal Astronomical Society},
  number       = {2},
  pages        = {947--962},
  publisher    = {Oxford University Press},
  title        = {{Hydrodynamical response of a circumbinary gas disc to black hole recoil and mass loss}},
  doi          = {10.1111/j.1365-2966.2010.16324.x},
  volume       = {404},
  year         = {2010},
}

@article{17686,
  abstract     = {The coalescence of a supermassive black hole binary (SMBHB) is thought to be accompanied by an electromagnetic (EM) afterglow, produced by the viscous infall of the surrounding circumbinary gas disk after the merger. It has been proposed that once the merger has been detected in gravitational waves (GWs) by LISA, follow-up EM searches for this afterglow can help identify the EM counterpart of the LISA source. Here we study whether the afterglows may be sufficiently bright and numerous to be detectable in EM surveys alone. The viscous afterglow, which lasts for years to decades for SMBHBs in LISA's sensitivity window, is characterized by rapid increases in both the bolometric luminosity and in the spectral hardness of the source. If quasar activity is triggered by the same major galaxy mergers that produce SMBHBs, then the afterglow could be interpreted as a signature of the birth of a quasar. Using an idealized model for the post-merger viscous spreading of the circumbinary disk and the resulting light curve, and using the observed luminosity function of quasars as a proxy for the SMBHB merger rate, we delineate the survey requirements for identifying such birthing quasars. If circumbinary disks have a high disk surface density and viscosity, an all-sky soft X-ray survey with a sensitivity of ~<3x10^-14 erg s^-1 cm^-2 and a time resolution of ~months could identify dozens of birthing quasars with sustained brightening rates of >10%/yr. If >1% of the X-ray emission is reprocessed into optical frequencies, birthing quasars could also be identified in optical transient surveys such as the LSST. Distinguishing a birthing quasar from other variable sources may be facilitated by the monotonic hardening of its spectrum, but will likely remain challenging. This reinforces the notion that joint EM-plus-GW observations offer the best prospects for identifying the EM signatures of SMBHB mergers.},
  author       = {Tanaka, Takamitsu and Haiman, Zoltán and Menou, Kristen},
  issn         = {0004-6256},
  journal      = {The Astronomical Journal},
  number       = {2},
  pages        = {642--651},
  publisher    = {American Astronomical Society},
  title        = {{Witnessing the birth of a quasar}},
  doi          = {10.1088/0004-6256/140/2/642},
  volume       = {140},
  year         = {2010},
}

@article{17695,
  abstract     = {Clusters of galaxies have been extensively used to determine cosmological parameters. A major difficulty in making the best use of Sunyaev–Zel'dovich (SZ) and X-ray observations of clusters for cosmology is that using X-ray observations it is difficult to measure the temperature distribution and therefore determine the density distribution in individual clusters of galaxies out to the virial radius. Observations with the new generation of SZ instruments are a promising alternative approach. We use clusters of galaxies drawn from high-resolution adaptive mesh refinement cosmological simulations to study how well we should be able to constrain the large-scale distribution of the intracluster gas (ICG) in individual massive relaxed clusters using AMiBA in its configuration with 13 1.2 m diameter dishes (AMiBA13) along with X-ray observations. We show that non-isothermal β models provide a good description of the ICG in our simulated relaxed clusters. We use simulated X-ray observations to estimate the quality of constraints on the distribution of gas density, and simulated SZ visibilities (AMiBA13 observations) for constraints on the large-scale temperature distribution of the ICG. We find that AMiBA13 visibilities should constrain the scale radius of the temperature distribution to about 50% accuracy. We conclude that the upgraded AMiBA, AMiBA13, should be a powerful instrument to constrain the large-scale distribution of the ICG.},
  author       = {Molnar, Sandor M. and Umetsu, Keiichi and Birkinshaw, Mark and Bryan, Greg and Haiman, Zoltán and Hearn, Nathan and Shang, Cien and Ho, Paul T. P. and Huang, Chih-Wei Locutus and Koch, Patrick M. and Victor Liao, Yu-Wei and Lin, Kai-Yang and Liu, Guo-Chin and Nishioka, Hiroaki and Wang, Fu-Cheng and Wu, Jiun-Huei Proty},
  issn         = {0004-637X},
  journal      = {The Astrophysical Journal},
  number       = {2},
  pages        = {1272--1285},
  publisher    = {American Astronomical Society},
  title        = {{Constraining intracluster gas models with AMiBA13}},
  doi          = {10.1088/0004-637x/723/2/1272},
  volume       = {723},
  year         = {2010},
}

@article{17697,
  abstract     = {We propose counting peaks in weak lensing (WL) maps, as a function of their height, to probe models of dark energy and to constrain cosmological parameters. Because peaks can be identified in two-dimensional WL maps directly, they can provide constraints that are free from potential selection effects and biases involved in identifying and determining the masses of galaxy clusters. We have run cosmological N-body simulations to produce WL convergence maps in three models with different constant values of the dark energy equation of state parameter, w=-0.8, -1, and -1.2, with a fixed normalization of the primordial power spectrum (corresponding to present-day normalizations of sigma8=0.742, 0.798, and 0.839, respectively). By comparing the number of WL peaks in 8 convergence bins in the range of -0.1 < kappa < 0.2, in multiple realizations of a single simulated 3x3 degree field, we show that the first (last) pair of models can be distinguished at the 95% (85%) confidence level. A survey with depth and area (20,000 sq. degrees), comparable to those expected from LSST, should have a factor of approx. 50 better parameter sensitivity. We find that relatively low-amplitude peaks (kappa = 0.03), which typically do not correspond to a single collapsed halo along the line of sight, account for most of this sensitivity. We study a range of smoothing scales and source galaxy redshifts (z_s). With a fixed source galaxy density of 15/arcmin^2, the best results are provided by the smallest scale we can reliably simulate, 1 arcminute, and z_s=2 provides substantially better sensitivity than z_s< 1.5.},
  author       = {Kratochvil, Jan M. and Haiman, Zoltán and May, Morgan},
  issn         = {1550-7998},
  journal      = {Physical Review D},
  number       = {4},
  publisher    = {American Physical Society},
  title        = {{Probing cosmology with weak lensing peak counts}},
  doi          = {10.1103/physrevd.81.043519},
  volume       = {81},
  year         = {2010},
}

@article{1772,
  abstract     = {We present the realization of a cavity quantum electrodynamics setup in which photons of strongly different lifetimes are engineered in different harmonic modes of the same cavity. We achieve this in a superconducting transmission line resonator with superconducting qubits coupled to the different modes. One cavity mode is strongly coupled to a detection line for qubit state readout, while a second long lifetime mode is used for photon storage and coherent quantum operations. We demonstrate sideband-based measurement of photon coherence, generation of n photon Fock states and the scaling of the sideband Rabi frequency with √n using a scheme that may be extended to realize sideband-based two-qubit logic gates.},
  author       = {Leek, Peter J and Baur, Matthias P and Johannes Fink and Bianchetti, R and Steffen, L. Kraig and Filipp, Stefan and Wallraff, Andreas},
  journal      = {Physical Review Letters},
  number       = {10},
  publisher    = {American Physical Society},
  title        = {{Cavity quantum electrodynamics with separate photon storage and qubit readout modes}},
  doi          = {10.1103/PhysRevLett.104.100504},
  volume       = {104},
  year         = {2010},
}

@article{1773,
  abstract     = {The quantum properties of electromagnetic, mechanical or other harmonic oscillators can be revealed by investigating their strong coherent coupling to a single quantum two level system in an approach known as cavity quantum electrodynamics (QED). At temperatures much lower than the characteristic energy level spacing the observation of vacuum Rabi oscillations or mode splittings with one or a few quanta asserts the quantum nature of the oscillator. Here, we study how the classical response of a cavity QED system emerges from the quantum one when its thermal occupation-or effective temperature-is raised gradually over 5 orders of magnitude. In this way we explore in detail the continuous quantum-to-classical crossover and demonstrate how to extract effective cavity field temperatures from both spectroscopic and time-resolved vacuum Rabi measurements.},
  author       = {Johannes Fink and Steffen, L. Kraig and Studer, Peter and Bishop, Lev S and Baur, Matthias P and Bianchetti, R and Bozyigit, Deniz and Lang, C and Filipp, Stefan and Leek, Peter J and Wallraff, Andreas},
  journal      = {Physical Review Letters},
  number       = {16},
  publisher    = {American Physical Society},
  title        = {{Quantum-to-classical transition in cavity quantum electrodynamics}},
  doi          = {10.1103/PhysRevLett.105.163601},
  volume       = {105},
  year         = {2010},
}

@article{1774,
  abstract     = {A number of superconducting qubits, such as the transmon or the phase qubit, have an energy level structure with small anharmonicity. This allows for convenient access of higher excited states with similar frequencies. However, special care has to be taken to avoid unwanted higher-level populations when using short control pulses. Here we demonstrate the preparation of arbitrary three level superposition states using optimal control techniques in a transmon. Performing dispersive readout, we extract the populations of all three levels of the qutrit and study the coherence of its excited states. Finally we demonstrate full quantum state tomography of the prepared qutrit states and evaluate the fidelities of a set of states, finding on average 95%.},
  author       = {Bianchetti, R and Filipp, Stefan and Baur, Matthias P and Johannes Fink and Lang, C and Steffen, L. Kraig and Boissonneault, Maxime and Blais, Alexandre and Wallraff, Andreas},
  journal      = {Physical Review Letters},
  number       = {22},
  publisher    = {American Physical Society},
  title        = {{Control and tomography of a three level superconducting artificial atom}},
  doi          = {10.1103/PhysRevLett.105.223601},
  volume       = {105},
  year         = {2010},
}

@article{1800,
  abstract     = {Retinitis pigmentosa refers to a diverse group of hereditary diseases that lead to incurable blindness, affecting two million people worldwide. As a common pathology, rod photoreceptors die early, whereas light-insensitive, morphologically altered cone photoreceptors persist longer. It is unknown if these cones are accessible for therapeutic intervention. Here, we show that expression of archaebacterial halorhodopsin in light-insensitive cones can substitute for the native phototransduction cascade and restore light sensitivity in mouse models of retinitis pigmentosa. Resensitized photoreceptors activate all retinal cone pathways, drive sophisticated retinal circuit functions (including directional selectivity), activate cortical circuits, and mediate visually guided behaviors. Using human ex vivo retinas, we show that halorhodopsin can reactivate light-insensitive human photoreceptors. Finally, we identified blind patients with persisting, light-insensitive cones for potential halorhodopsin-based therapy.},
  author       = {Busskamp, Volker and Duebel, Jens and Bálya, Dávid and Fradot, Mathias and Viney, Tim J and Sandra Siegert and Groner, Anna C and Cabuy, Erik and Forster, Valérie and Seeliger, Mathias W and Biel, Martin and Humphries, Peter and Pâques, Michel and Mohand-Saïd, Saddek and Trono, Didier and Deisseroth, Karl A and Sähel, José A and Picaud, Serge A and Roska, Botond M},
  journal      = {Science},
  number       = {5990},
  pages        = {413 -- 417},
  publisher    = {American Association for the Advancement of Science},
  title        = {{Genetic reactivation of cone photoreceptors restores visual responses in retinitis pigmentosa}},
  doi          = {10.1126/science.1190897},
  volume       = {329},
  year         = {2010},
}

@article{18022,
  abstract     = {The effect of the partial antiaromaticity of biphenylene on its substitution chemistry, its oxidation potential, and its single-molecule conductance is explored. Biphenylene and fluorene molecules with linkers of two amino groups or two cyclic thioether groups were synthesized and their conduction properties were investigated using scanning tunneling microscopy (STM) break-junction techniques and DFT calculations. Despite the partial antiaromaticity of biphenylene, which causes the biphenylenes to be much more easily oxidizable, no significant increase in molecular conductance was found.},
  author       = {Schneebeli, Severin and Kamenetska, Maria and Foss, Frank and Vazquez, Hector and Skouta, Rachid and Hybertsen, Mark and Venkataraman, Latha and Breslow, Ronald},
  issn         = {1523-7052},
  journal      = {Organic Letters},
  number       = {18},
  pages        = {4114--4117},
  publisher    = {American Chemical Society},
  title        = {{The electrical properties of biphenylenes}},
  doi          = {10.1021/ol1017036},
  volume       = {12},
  year         = {2010},
}

@article{18023,
  abstract     = {We measure the conductance of single Au−molecule−Au junctions with a series of air-stable diphenylphosphine-terminated molecules using the scanning tunneling microscope-based break junction technique. Thousands of conductance versus displacement traces collected for each molecule are used to statistically analyze junction conductance and evolution upon elongation. Measured conductances for a series of alkane-based molecules exhibit an exponential decrease with increasing length, as expected for saturated molecules, with a tunneling decay constant of 0.98 ± 0.04. Measurements of junction elongation indicate strong metal−molecule binding, with a length that increases with the number of methylene groups in the backbone. Measured conductance histograms for four molecules with short, unsaturated backbones (e.g., benzene) are much broader with less well-defined peaks. These measurements are supported by density function theory calculations. The phosphine binds selectively to under-coordinated gold atoms through a donor−acceptor bond with a binding energy of about 1 eV. The calculated tunnel coupling correlates very well with experiment.},
  author       = {Parameswaran, R. and Widawsky, J. R. and Vázquez, H. and Park, Y. S. and Boardman, B. M. and Nuckolls, C. and Steigerwald, M. L. and Hybertsen, M. S. and Venkataraman, Latha},
  issn         = {1948-7185},
  journal      = {The Journal of Physical Chemistry Letters},
  number       = {14},
  pages        = {2114--2119},
  publisher    = {American Chemical Society},
  title        = {{Reliable formation of single molecule junctions with air-stable diphenylphosphine linkers}},
  doi          = {10.1021/jz100656s},
  volume       = {1},
  year         = {2010},
}

@article{18024,
  abstract     = {Using photoemission spectroscopy, we determine the relationship between electronic energy level alignment at a metal−molecule interface and single-molecule junction transport data. We measure the position of the highest occupied molecular orbital (HOMO) relative to the Au metal Fermi level for three 1,4-benzenediamine derivatives on Au(111) and Au(110) with ultraviolet and resonant X-ray photoemission spectroscopy. We compare these results to scanning tunnelling microscope-based break-junction measurements of single molecule conductance and to first-principles calculations. We find that the energy difference between the HOMO and Fermi level for the three molecules adsorbed on Au(111) correlate well with changes in conductance and agree well with quasiparticle energies computed from first-principles calculations incorporating self-energy corrections. On the Au(110) that presents Au atoms with lower-coordination, critical in break-junction conductance measurements, we see that the HOMO level shifts further from the Fermi level. These results provide the first direct comparison of spectroscopic energy level alignment measurements with single molecule junction transport data.},
  author       = {Dell’Angela, M. and Kladnik, G. and Cossaro, A. and Verdini, A. and Kamenetska, M. and Tamblyn, I. and Quek, S. Y. and Neaton, J. B. and Cvetko, D. and Morgante, A. and Venkataraman, Latha},
  issn         = {1530-6992},
  journal      = {Nano Letters},
  number       = {7},
  pages        = {2470--2474},
  publisher    = {American Chemical Society},
  title        = {{Relating energy level alignment and amine-linked single molecule junction conductance}},
  doi          = {10.1021/nl100817h},
  volume       = {10},
  year         = {2010},
}

