Antiferroelectric Ceramics for Energy-Efficient Capacitors by Theory-Guided Discovery.

Antiferroelectric ceramics, via the electric-field-induced antiferroelectric (AFE)-ferroelectric (FE) phase transitions, show great promise for high-energy-density capacitors. Yet, currently, only 70-80% energy release is found during a charge-discharge cycle. Here, for PbZrO3-based oxides, geometric nonlinear theory of martensitic phase transitions is applied (first used to guide supercompatible shape-memory alloys) to predict the reversibility of the AFE-FE transition by using density-functional theory to assess AFE/FE interfacial lattice-mismatch strain that assures ultralow electric hysteresis and extended fatigue lifetime. A good correlation of mismatch strain with electric hysteresis, hence, with energy efficiency of AFE capacitors is observed. Guided by theory, high-throughput material search is conducted and AFE compositions with a near-perfect charge-discharge energy efficiency (98.2%), i.e., near-zero hysteresis are discovered. And the fatigue life of the capacitor reaches 79.5 million charge-discharge cycles, a factor of 80 enhancement over AFE ceramics with large electric hysteresis.

Hierarchical FeNiP@Ultrathin Carbon Nanoflakes as Alkaline Oxygen Evolution and Acidic Hydrogen Evolution Catalyst for Efficient Water Electrolysis and Organic Decomposition.

Efficiency of hydrogen evolution via water electrolysis is mainly impeded by the kinetically sluggish oxygen evolution reaction (OER). Thus, it is of great significance to develop highly active and stable OER catalyst for alkaline water electrolysis or to substitute the more kinetically demanding acidic OER with a facile electron-donating reaction such that OER is no longer the bottleneck half-reaction for either acidic or alkaline water electrolysis. Herein, the hierarchical Fe-Ni phosphide shelled with ultrathin carbon networks on Ni foam (FeNiP@C) is reported and shows exceptional OER activity and enhanced chemical stability in 1 M KOH. This unique electrode provides large active sites, facile electron transport pathways, and rapid gas release, resulting in a remarkable OER activity that delivers a current density of 100 mA/cm2 at an overpotential of 182 mV with a Tafel slope of 56 mV/dec. Combining the hydrogen evolution reaction with organic pollutant (methylene blue) oxidation, a multifunctional electrolyzer for simultaneous cost-effective hydrogen generation and organic pollutant decomposition in acid wastewater is proposed. Our strategies in this work provide attractive opportunities in energy- and environment-related fields.

Spin-Polarized Tunneling through Chemical Vapor Deposited Multilayer Molybdenum Disulfide.

The two-dimensional (2D) semiconductor molybdenum disulfide (MoS2) has attracted widespread attention for its extraordinary electrical-, optical-, spin-, and valley-related properties. Here, we report on spin-polarized tunneling through chemical vapor deposited multilayer MoS2 (∼7 nm) at room temperature in a vertically fabricated spin-valve device. A tunnel magnetoresistance (TMR) of 0.5-2% has been observed, corresponding to spin polarization of 5-10% in the measured temperature range of 300-75 K. First-principles calculations for ideal junctions result in a TMR up to 8% and a spin polarization of 26%. The detailed measurements at different temperature, bias voltages, and density functional theory calculations provide information about spin transport mechanisms in vertical multilayer MoS2 spin-valve devices. These findings form a platform for exploring spin functionalities in 2D semiconductors and understanding the basic phenomena that control their performance.

Surface energy engineering for tunable wettability through controlled synthesis of MoS2.

MoS2 is an important member of the transition metal dichalcogenides that is emerging as a potential 2D atomically thin layered material for low power electronic and optoelectronic applications. However, for MoS2 a critical fundamental question of significant importance is how the surface energy and hence the wettability is altered at the nanoscale in particular, the role of crystallinity and orientation. This work reports on the synthesis of large area MoS2 thin films on insulating substrates (SiO2/Si and Al2O3) with different surface morphology via vapor phase deposition by varying the growth temperatures. The samples were examined using transmission electron microscopy and Raman spectroscopy. From contact angle measurements, it is possible to correlate the wettability with crystallinity at the nanoscale. The specific surface energy for few layers MoS2 is estimated to be about 46.5 mJ/m(2). Moreover a layer thickness-dependent wettability study suggests that the lower the thickness is, the higher the contact angle will be. Our results shed light on the MoS2-water interaction that is important for the development of devices based on MoS2 coated surfaces for microfluidic applications.