Double layer effects in a model of proton discharge on charged electrodes

• Johannes Wiebe and
• Eckhard Spohr

Beilstein J. Nanotechnol. 2014, 5, 973–982, doi:10.3762/bjnano.5.111

• proton motion is usually small so that proton tunneling is less important than in many other cases. However, there is evidence for quantum effects due to the delocalized nature of the protons, in particular from ab initio MD simulations [4][36][37]. Such calculations show that an adequate incorporation

• thus a (possibly fortuitous) feature of our model, which on average incorporates some of the quantum effects in an empirical way. According to estimates we made in [17] the surface charge densities used in our computer simulations falls within the range of hydrogen underpotential deposition (UPD). In

Optical and structural characterization of oleic acid-stabilized CdTe nanocrystals for solution thin film processing

• Claudio Davet Gutiérrez-Lazos,
• Mauricio Ortega-López,
• Manuel A. Pérez-Guzmán,
• A. Mauricio Espinoza-Rivas,
• Francisco Solís-Pomar,
• Rebeca Ortega-Amaya,
• L. Gerardo Silva-Vidaurri,
• Virginia C. Castro-Peña and
• Eduardo Pérez-Tijerina

Beilstein J. Nanotechnol. 2014, 5, 881–886, doi:10.3762/bjnano.5.100

• quantum effect based devices [11] such as light emitting diodes [12], biolabeling [13], thermoelectric generators [14] and thin film solar cells [15]. In solar cell technology, colloidal nanocrystals hold promise for producing cheap solar cells with improved conversion efficiency by using quantum effects

Dye-doped spheres with plasmonic semi-shells: Lasing modes and scattering at realistic gain levels

• Nikita Arnold,
• Boyang Ding,
• Calin Hrelescu and
• Thomas A. Klar

Beilstein J. Nanotechnol. 2013, 4, 974–987, doi:10.3762/bjnano.4.110

• because in experiments all vertices will show some natural rounding and even if very large curvatures could be realized, ultra-high field enhancement is unphysical on a scale below 1 nm because of nonlocality and quantum effects [61][62]. We used blended edges with radii of curvature Rblend = 5 nm. The

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

• Pavel V. Komarov,
• Pavel G. Khalatur and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 567–587, doi:10.3762/bjnano.4.65

• total number of atoms in these systems was limited to about two million because of computer memory and CPU limitations [28]. Significant efforts have been made to take into account quantum effects and chemical reactions within the molecular dynamics models. For this purpose, the so-called Reax force

High-resolution electrical and chemical characterization of nm-scale organic and inorganic devices

• Pierre Eyben

Beilstein J. Nanotechnol. 2013, 4, 318–319, doi:10.3762/bjnano.4.35

• ). These architectures are typically three-dimensional, and with the continuous decrease of dimensions, they also represent extremely confined volumes in which statistical and quantum effects start to play an increasing role. The entirely successful application of these new materials and architectures