Superhydrophobic surfaces have shown promising applications in microfluidic systems as a result of their water-repellent and low-friction properties over the past decade. Recently, designed microstructures have been experimentally applied to construct wettability gradients and direct the droplet motion. However, thermodynamic mechanisms responsible for the droplet motion on such regular rough surfaces have not been well understood such that at present specific guidelines for the design of tunable superhydrophobic surfaces are not available. In this study, we propose a simple but robust thermodynamic methodology to gain thorough insight into the physical nature for the controllable motion of droplets. On the basis of the thermodynamic calculations of free energy (FE) and the free-energy barrier (FEB), the effects of surface geometry of a pillar microtexture are systematically investigated. It is found that decreasing the pillar width and spacing simultaneously is required to lower the advancing and receding FEBs to effectively direct droplets on the roughness gradient surface. Furthermore, the external energy plays a role in the actuation of spontaneous droplet motion with the cooperation of the roughness gradient. In addition, it is suggested that the so-called "virtual wall" used to confine the liquid flow along the undesired directions could be achieved by constructing highly advancing FEB areas around the microchannels, which is promising for the design of microfluidic systems.

Since the turn of the new century, the increasing demand for high-performance energy storage systems has generated considerable interest in rechargeable ion batteries.

It has been found experimentally that superhydrophobic surfaces exhibit strong anisotropic wetting behavior. This study reports a simple but robust thermodynamic methodology to investigate the anisotropic superhydrophobic behavior for parallel grooved surfaces. Free energy and its barrier and the corresponding contact angle and its hysteresis for various orientations of the groove structure are calculated based on the proposed thermodynamic model. It is revealed that the strong anisotropy of equilibrium contact angle (ECA) and contact angle hysteresis (CAH) is shown in the noncomposite state but almost isotropic wetting properties are exhibited in the composite state. Furthermore, for the noncomposite state, decreasing groove width and spacing or increasing groove depth can amplify the anisotropy for ECA. Meanwhile, decreasing groove width and increasing depth can amplify the anisotropy for CAH, while varying groove spacing can barely influence CAH. For the composite state, however, the surface geometry hardly leads to the anisotropic behavior. In addition, using a fitting approximation, a simple quantitative correlation between wettability and orientation can be established well, which is consistent with the numerical calculations.

The loss of sulfur in the cathode of a lithium sulfur battery (LSB) severely hinders the practical application of LSBs, and so do the insulativity of S and its lithiation end products. The incorporation of MXene can significantly improve the performance of LSBs; however, the underlying mechanism at the atomic scale has not been deeply explored. In the present work, by using density functional theory calculations, we systemically studied the interactions of lithium (poly)­sulfides (Li2S m ) on Ti-based bare MXenes (Ti n X n–1) and surface functionalized Ti2C with −F, −O, and −OH groups. Through analyzing the geometric and electronic structures, binding energies, and deformation charge densities of Li2S m adsorbed MXenes, we found that the strong Ti–S bonds dominate the interactions between Li2S m and MXenes. The strong Coulombic interactions help cathodes to confine S from dissolution. Besides, the conductivities of MXenes and Li2S m @MXenes are beneficial for the overall performance of the LSB. These will provide in-depth theoretical guidance support for the utilization of MXene in LSBs.

Pyrite-type CoSe2 necklace-like nanowires (NWs) were successfully grown on carbon fiber paper (CFP) and proven to be an efficient electrocatalyst towards the hydrogen evolution reaction (HER).

A general approach to fabricate nanowires based inorganic/organic composite flexible thermoelectric fabric using a simple and efficacious five-step vacuum filtration process is proposed. As an excellent example, the performance of freestanding flexible thermoelectric thin film using copper telluride nanowires/polyvinylidene fluoride (Cu1.75Te NWs/PVDF = 2:1) as building block is demonstrated. By burying the Cu1.75Te NWs into the PVDF polymer agent, the flexible fabric exhibits room-temperature Seebeck coefficient and electric conductivity of 9.6 μV/K and 2490 S/cm, respectively, resulting in a power factor of 23 μW/(mK(2)) that is comparable to the bulk counterpart. Furthermore, this NW-based flexible fabric can endure hundreds of cycles of bending tests without significant performance degradation.

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β-Zn4Sb3 has one of the highest ZT reported for binary compounds, but its practical applications have been hindered by a reported poor stability. Here we report the fabrication of nearly dense single-phase β-Zn4Sb3 and a study of its thermoelectric transport coefficients across a wide temperature range. Around 425 K we find an abrupt decrease of its thermal conductivity. Past this point, Zn atoms can migrate from crystalline sites to interstitial positions; β-Zn4Sb3 becomes metastable and gradually decomposes into Zn(hcp) and ZnSb. However, above 565 K it recovers its stability; in fact, the damage caused by decomposition can be repaired completely. This is key to its excellent thermoelectric performance at high temperature: the maximum ZT reaches 1.4. Molecular dynamics simulations are used to shed light on the microscopic behavior of the material.