Schottky junction/ohmic contact behavior of a nanoporous TiO₂ thin film photoanode in contact with redox electrolyte solutions

• Masao Kaneko,
• Hirohito Ueno and
• Junichi Nemoto

Beilstein J. Nanotechnol. 2011, 2, 127–134, doi:10.3762/bjnano.2.15

• solution) negatively charged. As the result the band structure of the SC (both the valence band (VB) and the conduction band) is bent as shown in Figure 3. This curved portion of the band structure is called a space charge layer (also called a depletion layer, where electrons are depleted). Under this

• the VB. The electron and the hole form an exciton (excited electron–hole pair), which is usually short-lived and recombines if there is no driving force to separate them. However, when the band structure is bent as in Figure 3 for an n-SC, the hole can migrate towards the SC interface, and the

• are transported first to the fluorine-doped tin oxide (FTO, SnO2:F) conductive layer through TiO2 grain boundaries and then to the cathode reducing electron acceptor there (O2 in the present case). In a Schottky junction, under the conditions when the band structure is flat without any bending, the

Ultrafine metallic Fe nanoparticles: synthesis, structure and magnetism

• Olivier Margeat,
• Marc Respaud,
• Catherine Amiens,
• Pierre Lecante and
• Bruno Chaudret

Beilstein J. Nanotechnol. 2010, 1, 108–118, doi:10.3762/bjnano.1.13

• ferromagnetic metals [1][2][3][4]. More surprisingly, the study of small Rh NPs revealed a paramagnetic to ferromagnetic phase transition induced by size reduction for clusters containing less than 40 atoms [5]. Band structure calculations have investigated the role of size reduction and demonstrated that it

• [16]. For all these systems, the structure of the clusters and the influence of the substrate, which could both modify the electronic band structure, remain uncertain. This could explain the disparities observed in the experimental results. The theoretical investigations carried out so far were

• to the atomic polytetrahedral arrangement, in particular the presence of many non-equivalent Fe sites compared to the conventional α-Fe phase. Band structure calculations on cubic Fe phases show a shell dependent magnetic moment with quite large differences between the core and the surface [7][8][9

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

• second code, which can perform calculations using k-points, was used to calculate the electronic properties (band structure and density of states). Band gaps have been calculated as an additional stability indicator. While these quantities are typically strongly underestimated in standard LDA- and GGA