A low-bandgap dimeric porphyrin molecule for 10% efficiency solar cells with small photon energy loss

Dimeric porphyrin molecules have great potential as donor materials for high performance bulk heterojunction organic solar cells (OSCs). Recently reported dimeric porphyrins bridged by ethynylenes showed power conversion efficiencies (PCEs) of more than 8%. In this study, we design and synthesize a new conjugated dimeric D-A porphyrin ZnP2BT-RH, in which the two porphyrin units are linked by an electron accepting benzothiadiazole (BT) unit. The introduction of the BT unit enhances the electron delocalization, resulting in a lower highest occupied molecular orbital (HOMO) energy level and an increased molar extinction coefficient in the near-infrared (NIR) region. The bulk heterojunction solar cells with ZnP2BT-RH as the donor material exhibit a high PCE of up to 10% with a low energy loss (Eloss) of only 0.56 eV. The 10% PCE is the highest for porphyrin-based OSCs with a conventional structure, and this Eloss is also the smallest among those reported for small molecule-based OSCs with a PCE higher than 10% to date

Perturbation theory of von Neumann Entropy

In quantum information theory, von Neumann entropy plays an important role. The entropies can be obtained analytically only for a few states. In continuous variable system, even evaluating entropy numerically is not an easy task since the dimension is infinite. We develop the perturbation theory systematically for calculating von Neumann entropy of non-degenerate systems as well as degenerate systems. The result turns out to be a practical way of the expansion calculation of von Neumann entropy.Comment: 7 page

Perturbational approach to the quantum capacity of additive Gaussian quantum channel

For a quantum channel with additive Gaussian quantum noise, at the large input energy side, we prove that the one shot capacity is achieved by the thermal noise state for all Gaussian state inputs, it is also true for non-Gaussian input in the sense of first order perturbation. For a general case of $n$ copies input, we show that up to first order perturbation, any non-Gaussian perturbation to the product thermal state input has a less quantum information transmission rate when the input energy tend to infinitive.Comment: 5 page

Local spin polarisation of electrons in Rashba semiconductor nanowires: effects of the bound state

The local spin polarisation (LSP) of electrons in two typical semiconductor nanowires under the modulation of Rashba spin-orbit interaction (SOI) is investigated theoretically. The influence of both the SOI- and structure-induced bound states on the LSP is taken into account via the spin-resolved lattice Green function method. It is discovered that high spin-density islands with alternative signs of polarisation are formed inside the nanowires due to the interaction between the bound states and the Rashba effective magnetic field. Further study shows that the spin-density islands caused by the structure-induced bound state exhibit a strong robustness against disorder. These findings may provide an efficient way to create local magnetic moments and store information in semiconductors.Comment: 8 pages, 3 figure

Surface reconstruction, premelting, and collapse of open-cell nanoporous Cu via thermal annealing

We systematic investigate the collapse of a set of open-cell nanoporous Cu (np-Cu) with the same porosity and shapes, but different specific surface area, during thermal annealing, via performing large-scale molecular dynamics simulations. Surface premelting is dominated in their collapses, and surface premelting temperatures reduce linearly with the increase of specific surface area. The collapse mechanisms are different for np-Cu with different specific surface area. If the specific surface area less than a critical value ($\sim$ 2.38 nm$^{-1}$), direct surface premelting, giving rise to the transition of ligaments from solid to liquid states, is the cause to facilitate falling-down of np-Cu during thermal annealing. While surface premelting and following recrystallization, accelerating the sloughing of ligaments and annihilation of pores, is the other mechanism, as exceeding the critical specific surface area. The recrystallization occurs at the temperatures below supercooling, where liquid is instable and instantaneous. Thermal-induced surface reconstruction prompts surface premelting via facilitating local "disordering" and "chaotic" at the surface, which are the preferred sites for surface premelting

Correlations among superconductivity, structural instability, and band filling in Nb1-xB2 at the critical point x=0.2

We performed an extensive investigation on the correlations among superconductivity, structural instability and band filling in Nb1-xB2 materials. Structural measurements reveal that a notable phase transformation occurs at x=0.2, corresponding to the Fermi level (EF) in the pseudogap with the minimum total density of states (DOS) as demonstrated by the first-principles calculations. Superconductivity in Nb1-xB2 generally becomes visible in the Nb-deficient materials with x=0.2. Electron energy-loss spectroscopy (EELS) measurements on B K-edge directly demonstrated the presence of a chemical shift arising from the structural transformation. Our systematical experimental results in combination with theoretical analysis suggest that the emergence of hole states in the sigma-bands plays an important role for understanding the superconductivity and structural transition in Nb1-xB2.Comment: 16 pages, 4 figure

Designing Universally Accessible Networking Services for a Mobile Personal Assistant

At present, a tendency towards smaller computer sizes and at the same time increasingly inaccessible web content can be noted. Despite the worldwide recognized importance of Web accessibility, the lack of accessibility of web services has an increasingly negative impact on all users. In order to address this issue, W3C has released a recommendation on Mobile Web Best Practices, supplementary to the Web Content Accessibility Guidelines. This paper presents the design and prototype development of universally accessible networking services that fully comply with those standards. Validation and expert accessibility evaluation on the XHTML Basic prototypes present 100% compliance. The followed design process is presented in details, outlining general as well as specific issues and related solutions that may be of interest to other designers. The results will be further verified through user tests on implemented services

Supported Au nanoparticles as efficient catalysts for aerobic homocoupling of phenylboronic acid

Au nanoparticles with small sizes (1–4 nm) were effectively formed on Mg–Al mixed oxides (Au/MAO), which showed superior catalytic performances and good recyclability in aerobic homocoupling of phenylboronic acid