Tunable Li-ion diffusion properties in MoSSe bilayer anodes by strain gradient.

Layered MoSSe nanostructures have been shown as potential candidates for the anode of lithium ion (Li-ion) batteries. The diffusion properties are generally critical to the performance of ionic batteries. The possible migration paths and associated diffusion energy barriers of Li-ions are systematically explored in MoSSe bilayer anodes with different stacking patterns by means of first-principles simulations. It is found that the diffusion properties strongly depend on interfaces and stacking patterns. Furthermore, the simulation results show that the diffusion energy barrier (and thus the diffusion coefficient) can be significantly reduced (enlarged) by applying a positive strain gradient, while increased (reduced) by applying a negative one. For example, the diffusion coefficient is increased roughly by 100 times relative to that of the pristine one when subjected to a strain gradient of 0.02 Å-1. In particular, it is found that less maximum strain is required in the strain-gradient than the uniform strain in order to achieve the same diffusion energy barrier. By careful analysis, the underlying mechanism can be attributed to the flexo-diffusion coupling effect. The coupling strength is characterized by the so-called flexo-diffusion coupling constant which is also calculated for each simulation model. The results of this work may provide valuable insights into the design and optimization of the anodes of ionic batteries.

Shielded goethite catalyst that enables fast water dissociation in bipolar membranes.

Optimal pH conditions for efficient artificial photosynthesis, hydrogen/oxygen evolution reactions, and photoreduction of carbon dioxide are now successfully achievable with catalytic bipolar membranes-integrated water dissociation and in-situ acid-base generations. However, inefficiency and instability are severe issues in state-of-the-art membranes, which need to urgently resolve with systematic membrane designs and innovative, inexpensive junctional catalysts. Here we show a shielding and in-situ formation strategy of fully-interconnected earth-abundant goethite Fe+3O(OH) catalyst, which lowers the activation energy barrier from 5.15 to 1.06 eV per HO - H bond and fabricates energy-efficient, cost-effective, and durable shielded catalytic bipolar membranes. Small water dissociation voltages at limiting current density (ULCD: 0.8 V) and 100 mA cm-2 (U100: 1.1 V), outstanding cyclic stability at 637 mA cm-2, long-time electro-stability, and fast acid-base generations (H2SO4: 3.9 ± 0.19 and NaOH: 4.4 ± 0.21 M m-2 min-1 at 100 mA cm-2) infer confident potential use of the novel bipolar membranes in emerging sustainable technologies.

Biomimetic Nanocones that Enable High Ion Permselectivity.

Artificial counterparts of conical-shaped transmembrane protein channels are of interest in biomedical sciences for biomolecule detection and selective ion permeation based on ionic size and/or charge differences. However, industrial-scale applications such as seawater desalination, separation of mono- from divalent cations, and treatment of highly-saline industrial waste effluents are still big challenges for such biomimetic channels. A simple monomer seeding experimental approach is used to grow ionically conductive biomimetic charged nanocone pores at the surface of an acid-functionalized membrane. These readily scalable nanocone membranes enable ultra-fast cation permeation (Na+ =8.4× vs. Mg2+ =1.4×) and high ion charge selectivity (Na+ /Mg2+ =6×) compared to the commercial state-of-the-art permselective membrane (CSO, Selemion, Japan) owing to negligible surface resistance and positively charged conical pore walls.