Nature of the electronic band gap in lanthanide oxides

Accurate electronic structures of the technologically important lanthanide/rare-earth sesquioxides (Ln2O3, with Ln=La, ⋯,Lu) and CeO2 have been calculated using hybrid density functionals HSE03, HSE06, and screened exchange (sX-LDA). We find that these density functional methods describe the strongly correlated Ln f electrons as well as the recent G0W0@LDA+U results, generally yielding the correct band gaps and trends across the Ln period. For HSE, the band gap between O 2p states and lanthanide 5d states is nearly independent of the lanthanide, while the minimum gap varies as filled or empty Ln 4f states come into this gap. sX-LDA predicts the unoccupied 4f levels at higher energies, which leads to a better agreement with experiments for Sm2O 3, Eu2O3, and Yb2O3. © 2013 American Physical Society.

Compact double-side liquid-impingement-cooled integrated power electronic module

This paper presents a compact integrated power electronic module (IPEM) which seeks to overcome the volumetric power density limitations of conventional packaging technologies. A key innovation has been the development of a substrate sandwich structure which permits double side cooling of the embedded dies whilst controlling the mechanical stresses both within the module and at the heat exchanger interface. A 3-phase inverter module has been developed, integrating the sandwich structures with high efficiency impingement coolers, delink capacitance and gate drive units. Full details of the IPEM construction and electrical evaluation are given in the paper. © 2007 IEEE.

Tuning of the electronic characteristics of ZnO nanowire field effect transistors by proton irradiation.

We demonstrated a controllable tuning of the electronic characteristics of ZnO nanowire field effect transistors (FETs) using a high-energy proton beam. After a short proton irradiation time, the threshold voltage shifted to the negative gate bias direction with an increase in the electrical conductance, whereas the threshold voltage shifted to the positive gate bias direction with a decrease in the electrical conductance after a long proton irradiation time. The electrical characteristics of two different types of ZnO nanowires FET device structures in which the ZnO nanowires are placed on the substrate or suspended above the substrate and photoluminescence (PL) studies of the ZnO nanowires provide substantial evidence that the experimental observations result from the irradiation-induced charges in the bulk SiO(2) and at the SiO(2)/ZnO nanowire interface, which can be explained by a surface-band-bending model in terms of gate electric field modulation. Our study on the proton-irradiation-mediated functionalization can be potentially interesting not only for understanding the proton irradiation effects on nanoscale devices, but also for creating the property-tailored nanoscale devices.

Accurate screened exchange band structures for the transition metal monoxides MnO, FeO, CoO and NiO.

We report calculations of the band structures and density of states of the four transition metal monoxides MnO, FeO, CoO and NiO using the hybrid density functional sX-LDA ('screened exchange local density approximation'). Late transition metal oxides are prototypical examples of strongly correlated materials, which pose challenges for electronic structure methods. We compare our results with available experimental data and show that our calculations generally yield accurate predictions for the fundamental band gaps and valence bands, in favourable agreement with previously reported theoretical studies. For MnO, the band gaps are still underestimated, suggesting additional many-body effects that are not captured by our screened hybrid functional approach.

The influence of 1D, meso- and crystal structures on charge transport and recombination in solid-state dye-sensitized solar cells

We have prepared single crystalline SnO2 and ZnO nanowires and polycrystalline TiO2 nanotubes (1D networks) as well as nanoparticle-based films (3D networks) from the same materials to be used as photoanodes for solid-state dye-sensitized solar cells. In general, superior photovoltaic performance can be achieved from devices based on 3-dimensional networks, mostly due to their higher short circuit currents. To further characterize the fabricated devices, the electronic properties of the different networks were measured via the transient photocurrent and photovoltage decay techniques. Nanowire-based devices exhibit extremely high, light independent electron transport rates while recombination dynamics remain unchanged. This indicates, contrary to expectations, a decoupling of transport and recombination dynamics. For typical nanoparticle-based photoanodes, the devices are usually considered electron-limited due to the poor electron transport through nanocrystalline titania networks. In the case of the nanowire-based devices, the system becomes limited by the organic hole transporter used. In the case of polycrystalline TiO2 nanotube-based devices, we observe lower transport rates and higher recombination dynamics than their nanoparticle-based counterparts, suggesting that in order to improve the electron transport properties of solid-state dye-sensitized solar cells, single crystalline structures should be used. These findings should aid future design of photoanodes based on nanowires or porous semiconductors with extended crystallinity to be used in dye-sensitized solar cells. © 2013 The Royal Society of Chemistry.