When “small” terms matter: Coupled interference features in the transport properties of cross-conjugated molecules

• Gemma C. Solomon,
• Justin P. Bergfield,
• Charles A. Stafford and
• Mark A. Ratner

Beilstein J. Nanotechnol. 2011, 2, 862–871, doi:10.3762/bjnano.2.95

• electronics; quantum interference; thermoelectrics; topology; Introduction Destructive interference effects, such as nodes in the transmission function, are a signature of coherence and offer a possible avenue for tuning the transport properties of single-molecule junctions. While not present in all systems

• investigate the transport through several acyclic cross-conjugated molecules and show that maintaining degenerate interference features in these systems may be challenging. As a basis for comparison, we use Hückel theory transport calculations to understand what can be expected from the topology alone. Using

• calculate the transport with an atomistic model of the system, going beyond simple topology to include the through-space interactions that arise from the three-dimensional nature of chemical structures. Molecular geometries were obtained by optimizing the isolated molecule using Q-Chem 3.0 [26] with density

Deconvolution of the density of states of tip and sample through constant-current tunneling spectroscopy

• Holger Pfeifer,
• Berndt Koslowski and
• Paul Ziemann

Beilstein J. Nanotechnol. 2011, 2, 607–617, doi:10.3762/bjnano.2.64

• developing a reliable deconvolution scheme shifts the focus towards how to access the actual transmission probability function. Keywords: deconvolution; Nb DOS; STM; STS; Introduction Undoubtedly, the power of scanning tunneling microscopy (STM) is based on its capability to map the surface topology of a

Micro to nano: Surface size scale and superhydrophobicity

• Christian Dorrer and
• Jürgen Rühe

Beilstein J. Nanotechnol. 2011, 2, 327–332, doi:10.3762/bjnano.2.38

• following lines: I) We compare the dewetting process for a surface with a large size scale with that for a surface with a smaller size scale, both with the same solid fraction and the same topology. For the surface with the larger roughness features, the receding meniscus has to dewet from fewer, but larger

The description of friction of silicon MEMS with surface roughness: virtues and limitations of a stochastic Prandtl–Tomlinson model and the simulation of vibration-induced friction reduction

• W. Merlijn van Spengen,
• Viviane Turq and
• Joost W. M. Frenken

Beilstein J. Nanotechnol. 2010, 1, 163–171, doi:10.3762/bjnano.1.20

• in the literature as the ‘surface topology model of stick-slip’ [23]. Based on this notion that ξ(x) is proportional to the surface roughness in MEMS, a measurement of the typical topology of the sidewall surface is required. We have made a special MEMS tribometer to do this, in which the counter

On the reticular construction concept of covalent organic frameworks

• Binit Lukose,
• Agnieszka Kuc,
• Johannes Frenzel and
• Thomas Heine

Beilstein J. Nanotechnol. 2010, 1, 60–70, doi:10.3762/bjnano.1.8

• [H] (connector IV), and the linkers between linear [l] (linkers a, b, e) and trigonal [t] (linkers c, d). Topology of the layer is determined by the geometries of the connector and linker molecules, and typically a hexagonal pattern is formed due to the D3h symmetry of the connector moieties. Based

• and the corresponding linkers. This process requires a release of three or six water molecules in case of t or l topology, respectively. Co-condensation of the above molecular units with compounds such as 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP), hexahydroxybenzene (HHB) and dodecahydroxycoronene