Bilayer MSe (M = Zr, Hf) as promising two-dimensional thermoelectric materials: a first-principles study.

Motivated by the experimental synthesis of two-dimensional MSe (M = Zr, Hf) thin films, we set out to investigate the electronic, thermal, and thermoelectric transport properties of 1T-phase MSe (M = Zr, Hf) bilayers on the basis of first-principles calculations and Boltzmann transport theory. Both bilayer ZrSe and HfSe are indirect band gap semiconductors possessing degenerate conduction bands and stair-like-shaped DOS, which provide a high n-doped power factor. In combination with the low lattice thermal conductivity that originated from the low phonon frequency of acoustic modes and the coupling of acoustic modes with optical modes, the maximum figure of merits at room temperature for n-type doping are predicted as 1.

Incidence and risk of thromboembolism associated with bevacizumab in patients with non-small cell lung carcinoma.

Background: Bevacizumab, a recombinant humanized monoclonal antibody against vascular endothelial growth factor (VEGF), is effective for the treatment of advanced non-small cell lung cancer (NSCLC). However, severe adverse events (AEs) have been reported in NSCLC patients treated with bevacizumab. Currently, the contribution of Bevacizumab to thromboembolism is still controversial.

A highly selective fluorescent chemosensor for iron ion based on 1H-imidazo [4,5-b] phenazine derivative.

Two kinds of fluorescent sensors (S and S1) for Fe(3+) bearing 1H-Imidazo [4,5-b] phenazine derivatives have been designed and synthesized. Between the two sensors, S showed excellent fluorescent specific selectivity and high sensitivity for Fe(3+) in DMSO solution. The test strip based on S was fabricated, which could act as a convenient and efficient Fe(3+) test kit.

Large negative differential resistance and rectifying behaviors in isolated thiophene nanowire devices.

We design isolated molecular nanowires composed of thiophene oligomers sandwiched between two one-dimensional gold electrodes. Electronic transport through the molecular junctions with two interface geometries is studied by performing the first principles calculations based on density functional theory and nonequilibrium Green's function. The current-voltage (I-V) curves of the molecular wires display an unexpected negative differential resistance and rectifying behaviors along with the oscillation effects, different from other theoretical and experimental studies about the analogous thiophene devices.

The transport properties and new device design: the case of 6,6,12-graphyne nanoribbons.

By performing first-principle quantum transport calculations, we studied the transport properties of three kinds of 6,6,12-graphyne nanoribbons with different edges and different cutting directions. The nanoribbon with zigzag edges shows metallic properties and the spin-polarized currents show an obvious negative differential resistance effect, the other two nanoribbons terminated by a phenyl ring are semiconductors and spin-unpolarized. We also designed several nanowire devices based on these 6,6,12-graphyne nanoribbons, such as rectifier, spin filter diode, spin FET and spin caloritronics devices.