Size variation of infrared vibrational spectra from molecules to hydrogenated diamond nanocrystals: a density functional theory study

• Mudar A. Abdulsattar

Beilstein J. Nanotechnol. 2013, 4, 262–268, doi:10.3762/bjnano.4.28

• region are C–C vibrations. The reduced mass formula of two particles of masses ma and mb is given by: Although the above equation is for diatomic molecules, it can be used for the understanding of vibrational modes of other larger molecules. We can note from the above equation that the reduced mass of

Functionalised zinc oxide nanowire gas sensors: Enhanced NO₂ gas sensor response by chemical modification of nanowire surfaces

• Eric R. Waclawik,
• Jin Chang,
• Andrea Ponzoni,
• Isabella Concina,
• Dario Zappa,
• Elisabetta Comini,
• Nunzio Motta,
• Guido Faglia and
• Giorgio Sberveglieri

Beilstein J. Nanotechnol. 2012, 3, 368–377, doi:10.3762/bjnano.3.43

• from the dodecanethiol C–H symmetric and asymmetric stretch vibrational modes can be clearly seen at 2850 and 2920 cm−1, respectively, which indicates that functionalisation of ZnO by DT in this way was successful. The dodecanethiol peaks were completely absent in the pure ZnO FTIR spectrum of Figure 3

Current-induced forces in mesoscopic systems: A scattering-matrix approach

• Niels Bode,
• Silvia Viola Kusminskiy,
• Reinhold Egger and
• Felix von Oppen

Beilstein J. Nanotechnol. 2012, 3, 144–162, doi:10.3762/bjnano.3.15

• vibrational modes on the electronic dynamics. We employ the scattering-matrix approach to quantum transport in order to develop a unified theory of nanoelectromechanical systems out of equilibrium. For a slow mechanical mode the current can be obtained from the Landauer–Büttiker formula in the strictly

• –Condon blockade effect, a phononic analogue of the Coulomb blockade in quantum dots [25][26][27]. In the opposite regime, electrons tunnel through the nanostructure rapidly, observing a quasistatic configuration of the vibrational modes, but affecting their dynamics profoundly at the same time [18][19

• limit, it is natural to assume that the dynamics of the vibrational modes, represented by collective coordinates Xν, will be governed by a set of coupled Langevin equations Here we have grouped the purely elastic contribution on the left-hand side (LHS) of Equation 1, Mν being the effective mass of mode

Current-induced dynamics in carbon atomic contacts

• Jing-Tao Lü,
• Tue Gunst,
• Per Hedegård and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2011, 2, 814–823, doi:10.3762/bjnano.2.90

• obtained temperature distributions with (Figure 6c, Figure 6d) and without (Figure 6e, Figure 6f) the anharmonic interactions shows that anharmonic couplings between the vibrational modes have a significant influence on the heat-transport properties and local Joule heating of the system. The heating is

Interaction of spin and vibrations in transport through single-molecule magnets

• Falk May,
• Maarten R. Wegewijs and
• Walter Hofstetter

Beilstein J. Nanotechnol. 2011, 2, 693–698, doi:10.3762/bjnano.2.75

• )D for E = 0 (and E′ = D′ = 0). The transverse anisotropy E breaks the continuous rotational symmetry about the easy-axis of the SMM, thereby causing spin-tunneling through the barrier. As shown in [9], vibrational modes modulate the magnetic anisotropy and can significantly contribute to the

Towards multiple readout application of plasmonic arrays

• Dana Cialla,
• Karina Weber,
• René Böhme,
• Uwe Hübner,
• Henrik Schneidewind,
• Matthias Zeisberger,
• Roland Mattheis,
• Robert Möller and
• Jürgen Popp

Beilstein J. Nanotechnol. 2011, 2, 501–508, doi:10.3762/bjnano.2.54

• spectrum of the fluorescence reporter molecules prevents the parallel detection of several fluorescent dye labels by fluorescence microscopy. Raman spectroscopy, i.e., the excitation of vibrational modes through inelastic light scattering, allows one to obtain highly specific molecular fingerprint

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces

• David M. Benoit,
• Bruno Madebene,
• Inga Ulusoy,
• Luis Mancera,
• Yohann Scribano and
• Sergey Chulkov

Beilstein J. Nanotechnol. 2011, 2, 427–447, doi:10.3762/bjnano.2.48

• structure calculations of decreasing accuracy [13][14] and have achieved reasonable accuracy for small to medium-sized molecules. The fast-VSCF technique uses the fact that there are preferred channels along which vibrational modes interact with each other and that these channels dominate the vibrational

• vibrational basis than does a basis of uncoupled harmonic oscillators. The size of the virtual configuration basis set can be controlled by a threshold parameter that limits the excitation of each quanta and/or the sum of quanta over all vibrational modes. The term “virtual” indicates that all excited modal

Room temperature synthesis of indium tin oxide nanotubes with high precision wall thickness by electroless deposition

• Mario Boehme,
• Emanuel Ionescu,
• Ganhua Fu and
• Wolfgang Ensinger

Beilstein J. Nanotechnol. 2011, 2, 119–126, doi:10.3762/bjnano.2.14

• similar to the vibrational modes previously reported for ITO [23][24][25]. Figure 3c shows the fluorescence behavior of the fabricated ITO-NTs. The excitation wavelength used in the study was 270 nm. The fluorescence spectrum shows strong UV emission peaks at 388 nm, 422 nm, 438 nm, 487 nm and 521 nm as