Correction to: Origin of fast charging in hard carbon anodes (Nature Energy, (2024), 9, 2, (134-142), 10.1038/s41560-023-01414-5)

Correction to: Nature Energyhttps://doi.org/10.1038/s41560-023-01414-5, published online 3 January 2024. In the version of this article initially published, lithium (green, “Li”) and sodium (purple, “Na”) color key labels in Fig. 3a,d,e were interchanged and are now amended in the HTML and PDF versions of the article.

Origin of fast charging in hard carbon anodes

Transport electrification and grid storage hinge largely on fast-charging capabilities of Li- and Na-ion batteries, but anodes such as graphite with plating issues drive the scientific focus towards anodes with slopped storage potentials. Here we report fast charging of ampere-hour-level full Na-ion batteries within about 9 minutes for...

Understanding the role of aliovalent cation substitution on the li-ion diffusion mechanism in Li_6+xP_1−xSi_xS₅Br argyrodites

Due to their high ionic conductivity, lithium-ion conducting argyrodites show promise as solid electrolytes for solid-state batteries. Aliovalent substitution is an effective technique to enhance the transport properties of Li₆PS₅Br, where aliovalent Si substitution triples ionic conductivity. However, the origin of this...

Role of Defects, Pores, and Interfaces in Deciphering the Alkali Metal Storage Mechanism in Hard Carbon

There are several questions and controversies regarding the Na storage mechanism in hard carbon. This springs from the difficulty of probing the vast diversity of possible configurational environments for Na storage, including surface and defect sites, edges, pores, and intercalation morphologies. In the effort to explain the observed voltage...

Thermodynamics of multi-sublattice battery active materials: from an extended regular solution theory to a phase-field model of LiMn_yFe_1-yPO₄

Phase separation during the lithiation of redox-active materials is a critical factor affecting battery performance, including energy density, charging rates, and cycle life. Accurate physical descriptions of these materials are necessary for understanding underlying lithiation mechanisms, performance limitations, and optimizing energy...

Adsorption of molybdenum on Zr-based MOFs for potential application in the ⁹⁹Mo/^99mTc generator

The potential of the metal–organic framework UiO-66 and its functionalized derivatives for their utilization in the ⁹⁹Mo/^99mTc generator was assessed. Molybdenum adsorption experiments, structure characterization, molecular simulations and column experiments with molybdenum-99 were carried out. The results showed that...

Synthesis and Structure-Property Relationships of Polyimide Covalent Organic Frameworks for Carbon Dioxide Capture and (Aqueous) Sodium-Ion Batteries

Covalent organic frameworks (COFs) are an emerging material family having several potential applications. Their porous framework and redox-active centers enable gas/ion adsorption, allowing them to function as safe, cheap, and tunable electrode materials in next-generation batteries, as well as CO2 adsorption materials for carbon-capture...

First-Principles Prediction of the Electrochemical Stability and Reaction Mechanisms of Solid-State Electrolytes

Solid-state batteries have significant advantages over conventional liquid batteries, providing improved safety, design freedom, and potentially reaching higher power and energy densities. The major obstacle in the commercial realization of solid-state batteries is the high resistance at the interfaces. To overcome this bottleneck, it is...

Synthesis, characterization, and CO₂ uptake of mellitic triimide-based covalent organic frameworks

Doubling Reversible Capacities in Epitaxial Li ₄ Ti ₅ O ₁₂ Thin Film Anodes for Microbatteries

Despite the lower gravimetric capacity, Li ₄ Ti ₅ O ₁₂ is an important alternative to graphite anodes, owing to its excellent high temperature stability, high rate capability, and negligible volume change. Although surfaces with lithium compositions exceeding Li ₇ Ti ₅ O ₁₂...

Modeling Electrode Materials: Bridging Nanoscale to Mesoscale

Computational modeling is shaping the fundamental understanding of key thermodynamic and kinetic properties in batteries, the importance of which is undeniable for the implementation of next-generation batteries, mobile and large-scale applications (chapter 1). In the present thesis, we employ density functional theory (DFT) at the nanoscale and...

Operando monitoring the lithium spatial distribution of lithium metal anodes

Electrical mobility demands an increase of battery energy density beyond current lithium-ion technology. A crucial bottleneck is the development of safe and reversible lithium-metal anodes, which is challenged by short circuits caused by lithium-metal dendrites and a short cycle life owing to the reactivity with electrolytes. The evolution of...

Ab Initio Study of Sodium Insertion in the λ-Mn₂O₄ and Dis/Ordered λ-Mn_1.5Ni_0.5O₄ Spinels

The main challenge of sodium-ion batteries is cycling stability, which is usually compromised due to strain induced by sodium insertion. Reliable high-voltage cathode materials are needed to compensate the generally lower operating voltages of Na-ion batteries compared to Li-ion ones. Herein, density functional theory (DFT) computations were...

The Fine Line between a Two-Phase and Solid-Solution Phase Transformation and Highly Mobile Phase Interfaces in Spinel Li_{4+ x}Ti₅O₁₂

Phase transitions play a crucial role in Li-ion battery electrodes being decisive for both the power density and cycle life. The kinetic properties of phase transitions are relatively unexplored and the nature of the phase transition in defective spinel Li₄₊ _xTi₅O₁₂ introduces a controversy as the...

Explaining key properties of lithiation in TiO2-anatase Li-ion battery electrodes using phase-field modeling

The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. Phase-field modeling has recently been shown to have this ability, providing new opportunities to gain understanding of these complex systems. In this paper, a novel electrochemical...