Eliminating chemo-mechanical degradation of lithium solid-state battery cathodes during >4.5 V cycling using amorphous NbO coatings.

Lithium solid-state batteries offer improved safety and energy density. However, the limited stability of solid electrolytes (SEs), as well as irreversible structural and chemical changes in the cathode active material, can result in inferior electrochemical performance, particularly during high-voltage cycling (>4.3 V vs Li/Li).

Switchable planar chirality and spin texture in highly ordered ferroelectric hybrid perovskite domains.

Chiral organic-inorganic hybrid perovskites offer a promising platform for developing non-linear chiro-optical applications and chiral-induced spin selectivity. Here, we show that achiral hybrid perovskites that have highly ordered ferroelectric domains with orthogonal polarization exhibit planar chirality, as manifested by second harmonic generation with strong circular dichroism. Interestingly, the handedness of the second harmonic generation circular dichroism response can be alternatingly switched between orthogonally polarized domains and domain walls.

Flux Synthesis of A-site Disordered Perovskite LaMTiO (M═Li, Na, K) Nanorods Tailored for Solid Composite Electrolytes.

Inorganic fillers play an important role in improving the ionic conductivity of solid composite electrolytes (SCEs) for Li-ion batteries. Among inorganic fillers, perovskite-type lithium lanthanum titanate (LLTO) stands out for its high bulk Li conductivity on the order of 10 S cm at room temperature. According to a literature survey, the optimal LLTO filler should possess the following characteristics: i) a single-crystal structure to minimize grain boundaries; ii) a small particle size to increase the filler/polymer interface area; iii) a 1D morphology for efficient interface channels; and iv) cubic symmetry to facilitate rapid bulk Li diffusion within the filler.

Width-dependent continuous growth of atomically thin quantum nanoribbons from nanoalloy seeds in chalcogen vapor.

Nanoribbons (NRs) of atomic layer transition metal dichalcogenides (TMDs) can boost the rapidly emerging field of quantum materials owing to their width-dependent phases and electronic properties. However, the controllable downscaling of width by direct growth and the underlying mechanism remain elusive. Here, we demonstrate the vapor-liquid-solid growth of single crystal of single layer NRs of a series of TMDs (MeX: Me = Mo, W; X = S, Se) under chalcogen vapor atmosphere, seeded by pre-deposited and respective transition metal-alloyed nanoparticles that also control the NR width.

Off-Lattice Markov Chain Monte Carlo Simulations of Mechanically Driven Polymers.

We develop off-lattice simulations of semiflexible polymer chains subjected to applied mechanical forces by using Markov Chain Monte Carlo. Our approach models the polymer as a chain of fixed length bonds, with configurations updated through adaptive nonlocal Monte Carlo moves. This proposed method enables precise calculation of a polymer's response to a wide range of mechanical forces, which traditional on-lattice models cannot achieve.

Uncovering Backbone Conformation for Rigid DPP-Based Donor-Acceptor Conjugated Polymer Using Deuterium Labeling and Neutron Scattering.

The conjugated polymer's backbone conformation dictates the delocalization of electrons, ultimately affecting its optoelectronic properties. Most conjugated polymers can be viewed as semirigid rods with their backbone embedded among long alkyl side chains. Thus, it is challenging to experimentally quantify the conformation of a conjugated backbone.

Iron Impurity Impairs the CO Capture Performance of MgO: Insights from Microscopy and Machine Learning Molecular Dynamics.

Magnesium oxide (MgO) is a promising sorbent for direct air capture (DAC) of carbon dioxide. Iron (Fe) is a common impurity in naturally occurring MgO and minerals used to produce MgO, yet a molecular-scale understanding of Fe-doping effects on carbonation is lacking. Here, we observed reduced carbonation performance in Fe-doped MgO experimentally.

A General Approach for Metal Nanoparticle Encapsulation Within Porous Oxides.

Encapsulation of metal nanoparticles within oxide materials has been shown as an effective strategy to improve activity, selectivity, and stability in several catalytic applications. Several approaches have been proposed to encapsulate nanoparticles, such as forming core-shell structures, growing ordered structures (zeolites or metal-organic frameworks) on nanoparticles, or directly depositing support materials on nanoparticles. Here, a general nanocasting method is demonstrated that can produce diverse encapsulated metal@oxide structures with different compositions (Pt, Pd, Rh) and multiple types of oxides (AlO, AlO-CeO, ZrO, ZnZrO, InO, MnO, TiO) while controlling the size and dispersion of nanoparticles and the porous structure of the oxide.