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Discovery of thermoelectric materials has long been realized by the Edisonian trial and error approach. However, recent progress in theoretical calculations, including the ability to predict structures of unknown phases along with their thermodynamic stability and functional properties, has enabled the so-called inverse design approach. Compared to the traditional materials discovery, the inverse design approach has the potential to substantially reduce the experimental efforts needed to identify promising compounds with target functionalities. By adopting this approach, here we have discovered several unreported half-Heusler compounds. Among them, the p-type TaFeSb-based half-Heusler demonstrates a record high ZT of ~1.52 at 973 K. Additionally, an ultrahigh average ZT of ~0.93 between 300 and 973 K is achieved. Such an extraordinary thermoelectric performance is further verified by the heat-to-electricity conversion efficiency measurement and a high efficiency of ~11.4% is obtained. Our work demonstrates that the TaFeSb-based half-Heuslers are highly promising for thermoelectric power generation. The discovery of thermodynamically stable thermoelectric materials for power generation has relied on empirical methods that were not effective. Here, the authors apply the inverse design approach to identify and experimentally realize TaFeSb-based half Heuslers with high thermoelectric performance.

Seawater is one of the most abundant natural resources on our planet. Electrolysis of seawater is not only a promising approach to produce clean hydrogen energy, but also of great significance to seawater desalination. The implementation of seawater electrolysis requires robust and efficient electrocatalysts that can sustain seawater splitting without chloride corrosion, especially for the anode. Here we report a three-dimensional core-shell metal-nitride catalyst consisting of NiFeN nanoparticles uniformly decorated on NiMoN nanorods supported on Ni foam, which serves as an eminently active and durable oxygen evolution reaction catalyst for alkaline seawater electrolysis. Combined with an efficient hydrogen evolution reaction catalyst of NiMoN nanorods, we have achieved the industrially required current densities of 500 and 1000 mA cm −2 at record low voltages of 1.608 and 1.709 V, respectively, for overall alkaline seawater splitting at 60 °C. This discovery significantly advances the development of seawater electrolysis for large-scale hydrogen production. Seawater electrolysis is a promising approach to produce hydrogen fuel and is also of great significance to seawater desalination. Here, the authors prepare 3D core-shell metal-nitride catalysts from earth-abundant elements for high-performance alkaline seawater electrolysis.

Large numbers of leaves fall on the earth each autumn. The current treatments of dead leaves mainly involve completely destroying the biocomponents, which causes considerable energy consumption and environmental issues. It remains a challenge to convert waste leaves into useful materials without breaking down their biocomponents. Here, we turn red maple dead leaves into an active three-component multifunctional material by exploiting the role of whewellite biomineral for binding lignin and cellulose. Owing to its intense optical absorption spanning the full solar spectrum and the heterogeneous architecture for effective charge separation, films of this material show high performance in solar water evaporation, photocatalytic hydrogen production, and photocatalytic degradation of antibiotics. Furthermore, it also acts as a bioplastic with high mechanical strength, high-temperature tolerance, and biodegradable features. These findings pave the way for the efficient utilization of waste biomass and innovations of advanced materials. Large numbers of leaves fall off trees each autumn. Here, the authors turn dead leaves into an active material which acts as bioplastic and shows high performance in solar water evaporation, photocatalytic H 2 production and antibiotic degradation.

Water electrolysis is an advanced energy conversion technology to produce hydrogen as a clean and sustainable chemical fuel, which potentially stores the abundant but intermittent renewable energy sources scalably. Since the overall water splitting is an uphill reaction in low efficiency, innovative breakthroughs are desirable to greatly improve the efficiency by rationally designing non-precious metal-based robust bifunctional catalysts for promoting both the cathodic hydrogen evolution and anodic oxygen evolution reactions. We report a hybrid catalyst constructed by iron and dinickel phosphides on nickel foams that drives both the hydrogen and oxygen evolution reactions well in base, and thus substantially expedites overall water splitting at 10 mA cm −2 with 1.42 V, which outperforms the integrated iridium (IV) oxide and platinum couple (1.57 V), and are among the best activities currently. Especially, it delivers 500 mA cm −2 at 1.72 V without decay even after the durability test for 40 h, providing great potential for large-scale applications. Water electrolysis provides a carbon-neutral means to generate hydrogen fuel from water, but the process typically requires expensive, rare metal catalysts. Here, the authors prepare hydrogen- and oxygen-evolving electrocatalysts from earth-abundant elements that outperform noble-metal counterparts.

Fabricating inorganic materials with designed three-dimensional nanostructures is an exciting yet challenging area of research and industrial application. Here, we develop an approach to 3D print high-quality nanostructures of silica with sub-200 nm resolution and with the flexible capability of rare-earth element doping. The printed SiO 2 can be either amorphous glass or polycrystalline cristobalite controlled by the sintering process. The 3D-printed nanostructures demonstrate attractive optical properties. For instance, the fabricated micro-toroid optical resonators can reach quality factors ( Q ) of over 10 4 . Moreover, and importantly for optical applications, doping and codoping of rare-earth salts such as Er 3+ , Tm 3+ , Yb 3+ , Eu 3+ and Nd 3+ can be directly implemented in the printed SiO 2 structures, showing strong photoluminescence at the desired wavelengths. This technique shows the potential for building integrated microphotonics with silica via 3D printing. A 3D-printing technique has been developed to create high-quality pure silica nanostructures with sub-200 nm resolution and the flexible capability of rare-earth element doping. It shows excellent application potential in three-dimensional micro- and nanophotonics.

Water-ice transformation of few nm nanodroplets plays a critical role in nature including climate change, microphysics of clouds, survival mechanism of animals in cold environments, and a broad spectrum of technologies. In most of these scenarios, water-ice transformation occurs in a heterogenous mode where nanodroplets are in contact with another medium. Despite computational efforts, experimental probing of this transformation at few nm scales remains unresolved. Here, we report direct probing of water-ice transformation down to 2 nm scale and the length-scale dependence of transformation temperature through two independent metrologies. The transformation temperature shows a sharp length dependence in nanodroplets smaller than 10 nm and for 2 nm droplet, this temperature falls below the homogenous bulk nucleation limit. Contrary to nucleation on curved rigid solid surfaces, ice formation on soft interfaces (omnipresent in nature) can deform the interface leading to suppression of ice nucleation. For soft interfaces, ice nucleation temperature depends on surface modulus. Considering the interfacial deformation, the findings are in good agreement with predictions of classical nucleation theory. This understanding contributes to a greater knowledge of natural phenomena and rational design of anti-icing systems for aviation, wind energy and infrastructures and even cryopreservation systems. Ice nucleation in confined geometries is a ubiquitous phenomenon, but difficult to characterize. Here the authors investigate experimentally the freezing of water nanodroplets surrounded by octane in nanopores down to 2 nm, and demonstrate that the soft curved oil-water interface suppresses heterogeneous ice nucleation, which occurs at a lower temperature than homogenous bulk nucleation.

With the massive consumption of fossil fuels and its detrimental impact on the environment, methods of generating clean power are urgent. Hydrogen is an ideal carrier for renewable energy; however, hydrogen generation is inefficient because of the lack of robust catalysts that are substantially cheaper than platinum. Therefore, robust and durable earth-abundant and cost-effective catalysts are desirable for hydrogen generation from water splitting via hydrogen evolution reaction. Here we report an active and durable earth-abundant transition metal dichalcogenide-based hybrid catalyst that exhibits high hydrogen evolution activity approaching the state-of-the-art platinum catalysts, and superior to those of most transition metal dichalcogenides (molybdenum sulfide, cobalt diselenide and so on). Our material is fabricated by growing ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam. This advance provides a different pathway to design cheap, efficient and sizable hydrogen-evolving electrode by simultaneously tuning the number of catalytic edge sites, porosity, heteroatom doping and electrical conductivity. There is on-going research into efficient noble metal-free materials for electrocatalytic hydrogen evolution. Here, the authors prepare ternary molybdenum sulfoselenide particles supported on three-dimensional porous nickel selenide foam, and demonstrate the high efficiency of the hydrogen evolving composite.

Reduction of water to hydrogen through electrocatalysis holds great promise for clean energy, but its large-scale application relies on the development of inexpensive and efficient catalysts to replace precious platinum catalysts. Here we report an electrocatalyst for hydrogen generation based on very small amounts of cobalt dispersed as individual atoms on nitrogen-doped graphene. This catalyst is robust and highly active in aqueous media with very low overpotentials (30 mV). A variety of analytical techniques and electrochemical measurements suggest that the catalytically active sites are associated with the metal centres coordinated to nitrogen. This unusual atomic constitution of supported metals is suggestive of a new approach to preparing extremely efficient single-atom catalysts. There is ongoing interest in the development of non-precious metal catalysts for hydrogen evolution. Here, the authors fabricate a cobalt catalyst in which the cobalt is dispersed as single atoms on nitrogen-doped graphene, and report its high activity and stability for water reduction in acidic media.

The self-assembly of colloids is an alternative to top-down processing that enables the fabrication of nanostructures. We show that self-assembled clusters of metal-dielectric spheres are the basis for nanophotonic structures. By tailoring the number and position of spheres in close-packed clusters, plasmon modes exhibiting strong magnetic and Fano-like resonances emerge. The use of identical spheres simplifies cluster assembly and facilitates the fabrication of highly symmetric structures. Dielectric spacers are used to tailor the interparticle spacing in these clusters to be approximately 2 nanometers. These types of chemically synthesized nanoparticle clusters can be generalized to other two- and three-dimensional structures and can serve as building blocks for new metamaterials.

HighlightsA hierarchical interconnected NiMoN (HW-NiMoN-2h) was successfully prepared based on a rational combination of hydrothermal and water bath processes.HW-NiMoN-2h exhibited high hydrogen evolution reaction (HER) activity due to its large specific surface area and good stability due to its enhanced mechanical strength.In 1 M KOH seawater, HW-NiMoN-2h delivered current density of 1 A cm−2 for HER at an overpotential of 130 mV and showed excellent stability over 70 h at 1 A cm−2.NiMo-based nanostructures are among the most active hydrogen evolution reaction (HER) catalysts under an alkaline environment due to their strong water dissociation ability. However, these nanostructures are vulnerable to the destructive effects of H2 production, especially at industry-standard current densities. Therefore, developing a strategy to improve their mechanical strength while maintaining or even further increasing the activity of these nanocatalysts is of great interest to both the research and industrial communities. Here, a hierarchical interconnected NiMoN (HW-NiMoN-2h) with a nanorod-nanowire morphology was synthesized based on a rational combination of hydrothermal and water bath processes. HW-NiMoN-2h is found to exhibit excellent HER activity due to the accomodation of abundant active sites on its hierarchical morphology, in which nanowires connect free-standing nanorods, concurrently strengthening its structural stability to withstand H2 production at 1 A cm−2. Seawater is an attractive feedstock for water electrolysis since H2 generation and water desalination can be addressed simultaneously in a single process. The HER performance of HW-NiMoN-2h in alkaline seawater suggests that the presence of Na+ ions interferes with the reation kinetics, thus lowering its activity slightly. However, benefiting from its hierarchical and interconnected characteristics, HW-NiMoN-2h is found to deliver outstanding HER activity of 1 A cm−2 at 130 mV overpotential and to exhibit excellent stability at 1 A cm−2 over 70 h in 1 M KOH seawater.