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Research Digest — 2026-07-03

Halide Solid Electrolytes

1. From powder to product: a perspective on halide electrolytes for commercial lithium solid-state batteries

Source: Tungsten (Springer) · 📅 2026-06-20 · ↗ Open paper

A comprehensive perspective on halide solid electrolytes (Li3MX6, M=Y/In, X=Cl/Br/I) tracing the path from lab-scale synthesis to commercial deployment. Reviews structure-property relationships across trigonal, spinel, and oxyhalide frameworks, covering aliovalent doping, mixed-anion strategies, and Earth-abundant chemistries. Discusses scalable synthesis (mechanochemical milling to melt processing) and integration into composite electrodes with full-cell architectures.

Relevance to DENG.Group

Directly relevant to Yan Li and Mengke Li's work on halide electrolytes. The structure-property maps and synthesis route comparisons provide benchmarking data for the group's halide simulation program.

2. Challenges of the infiltration method for halide-based solid-state battery cathodes

Source: Scientific Reports (s41598-026-47289-w) · 📅 2026-06-15 · ↗ Open paper

Experimental study examining the infiltration method for halide SE cathode fabrication in SSBs. Compares sulfide (Li6PS5Cl) and halide (Li3YCl6, Li3InCl6) electrolytes for cathode/electrolyte contact optimization, highlighting that processability constraints differ significantly between SE classes and that mechanical mixing quality strongly influences interfacial contact with NCM cathodes.

Relevance to DENG.Group

Useful for Mengke Li's transport studies — the infiltration processing data constrains realistic interface models. The sulfide vs. halide processing comparison is directly relevant to the group's multi-class SE strategy.

3. A moisture-stable high-entropy halide electrolyte with performance recovery upon annealing

Source: Materials Horizons (d6mh00223d) · 📅 2026-06-10 · ↗ Open paper

Reports a high-entropy halide solid electrolyte (HE-25) that maintains moisture stability and exhibits remarkable ionic conductivity recovery after moisture exposure — nearly full recovery upon mild annealing at 150°C. The high-entropy strategy stabilizes the structure against hydrolysis while preserving fast ion transport pathways.

Relevance to DENG.Group

High-entropy halide design is an emerging strategy the group could explore computationally. Moisture stability mechanisms are relevant to Yan Li's degradation studies — the entropy-stabilization approach offers a new design principle.

4. From Promise to Production: Strategic Roadmap for Halide-Based All-Solid-State Battery Pilot Lines

Source: Advanced Energy Materials · 📅 2026-06-05 · ↗ Open paper

A strategic perspective charting the development of halide-based ASSB pilot lines. Highlights how halide electrolytes bridge the gap between lab research and manufacturing, addressing scale-up challenges in electrode processing, electrolyte film fabrication, and cell assembly. Provides techno-economic analysis comparing halide, sulfide, and oxide pathways.

Relevance to DENG.Group

Important context for the group's halide program strategy. The techno-economic analysis and pilot-line roadmap helps position academic simulation work within the broader commercialization landscape.

5. Redox-active halide solid electrolytes for stable high-energy all-solid-state batteries

Source: LBNL Technology Portal (Nature Chemistry) · 📅 2026-02-09 · ↗ Open paper

Introduces a new class of redox-active halide solid electrolytes that use controlled redox reactions ('dynamic stability') to extend their electrochemical stability window. This approach decouples the traditional trade-off between ionic conductivity and oxidative stability, enabling compatibility with high-voltage cathodes.

Relevance to DENG.Group

The 'dynamic stability' concept is a paradigm shift relevant to Yan Li and Mengke Li's halide work. Simulating redox-active mechanisms in halides could open a new research direction for the group.

ML Interatomic Potentials

6. Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Source: MRS Communications (OSTI 3024472) · 📅 2026-02-17 · ↗ Open paper

A prospective paper from LLNL providing comprehensive guidance for MLIP development for grain boundaries and interfaces in ASSBs. Focuses on three pillars: data generation, model selection, and validation. Reviews current MLIP applications for ASSB interfaces including ion transport, interfacial evolution, and degradation mechanisms with best practices for diverse training sets and architecture choices.

Relevance to DENG.Group

Highly relevant to Yanhao Deng's ML potential work and Cheng Peng's grain boundary studies. The training data and validation protocols directly inform the group's MLIP development pipeline for solid electrolyte interfaces.

7. An accurate charge-aware machine-learning interatomic potential for reduction of Li-ion battery electrolytes in solution

Source: ChemRxiv · 📅 2026-02-10 · ↗ Open paper

Presents a charge-aware MLIP that captures redox chemistry and electron transfer in Li-ion battery liquid electrolytes. The model predicts decomposition pathways and reduction potentials of solvent molecules in solution, demonstrating that explicit charge equilibration is essential for modeling electrochemically active interfaces.

Relevance to DENG.Group

While focused on liquid electrolytes, the charge-aware architecture concept is transferable to solid electrolyte interface modeling. Relevant to Yanhao Deng's work — incorporating charge awareness into solid-state MLIPs could improve interface reactivity predictions.

8. Machine learning interatomic potential enables interface-level insights into cathode/solid electrolyte adhesion in sodium-ion batteries

Source: Journal of Energy Storage (S2352152X26007681) · 📅 2026-06-01 · ↗ Open paper

Demonstrates MLIP-driven simulation of cathode/SE adhesion in sodium-ion batteries at the interface level. The MLIP captures work of adhesion, interfacial structure evolution, and mechanical failure modes that are inaccessible to DFT due to length-scale limitations.

Relevance to DENG.Group

Methodologically relevant to Umang Agarwal's heterogeneous interface work. The adhesion simulation protocol could be directly adapted for Li-based electrolyte/electrode interfaces in the group's studies.

9. Assessment and application of universal machine learning interatomic potentials for materials screening

Source: ACS Materials Letters · 📅 2026-03-15 · ↗ Open paper

Systematic benchmark study evaluating universal/foundational MLIPs (MACE, CHGNet, M3GNet, SevenNet) for materials property prediction. Assesses accuracy across diverse chemistries and structures, finding that while universal potentials offer convenience, they exhibit non-trivial failure modes for specific compositions and environments.

Relevance to DENG.Group

Critical reference for Yanhao Deng's ML potential work — the benchmarking results guide when to trust universal potentials vs. training specialized models for solid electrolyte systems.

Solid Electrolyte Roadmap and Reviews

10. 2026 Roadmap on next-generation solid electrolytes for battery applications

Source: Materials Futures (IOP) · 📅 2026-06-25 · ↗ Open paper

A comprehensive roadmap article outlining future directions in solid electrolyte research across sulfide, halide, and polymer classes. Covers post-Li/Na chemistries, high-throughput experimentation, modeling/simulation, and ML-driven SE design. Provides section-by-section outlooks on ionic transport, chemical stability, and manufacturing for each SE class.

Relevance to DENG.Group

Essential strategic reference for positioning the group's research program. The roadmap's modeling and ML sections validate the group's computational approach and identify emerging gaps the group could fill.

11. Li-argyrodite sulfide solid electrolytes: From fundamental research to commercial applications

Source: Joule (Cell Press) · 📅 2026-06-20 · ↗ Open paper

Systematic review of Li-argyrodite (Li6PS5X) sulfide SEs covering ion-transport mechanisms, synthesis strategies, and air stability improvement. Traces the path from fundamental understanding to commercial deployment, identifying key bottlenecks in moisture sensitivity and scale-up processing.

Relevance to DENG.Group

Provides baseline data for sulfide SE comparison studies. Relevant for contextualizing the group's halide-focused work against the more mature sulfide literature.

12. Modeling and simulation approaches for solid-state battery interfaces

Source: Dalton Transactions (RSC) · 📅 2026-05-15 · ↗ Open paper

Reviews atomic and mesoscale simulation techniques for SSB interfaces, covering DFT, MD, phase-field, and continuum methods. Discusses how multi-scale modeling addresses interfacial challenges including mechanical degradation, chemical instability, and ion transport barriers at cathode/SE and anode/SE boundaries.

Relevance to DENG.Group

Directly relevant to the group's multi-scale simulation portfolio. The methods review spans the same length/time scales the group operates across — from Yanhao's atomistic MLIPs to Shoutong Jin's phase-field dendrite work.

Solid-State Battery Interfaces and Dendrites

13. Halide-based materials and interfacial chemistry for solid-state batteries: A comprehensive review

Source: Materials Science & Engineering R · 📅 2026-06-10 · ↗ Open paper

Comprehensive review of inorganic halide solid electrolytes for Li and Na solid-state batteries, focusing on interfacial chemistry. Covers cathode/halide and anode/halide interface stability, interphase formation mechanisms, and strategies for interfacial engineering including coating and compositional tuning.

Relevance to DENG.Group

Core reference for the group's halide program. The interfacial chemistry framework directly informs Umang Agarwal's interface studies and Yan Li's degradation simulations.

14. In situ polymerization for high-performance solid-state lithium-sulfur batteries

Source: Nature Communications · 📅 2026-06-03 · ↗ Open paper

Demonstrates in situ polymerization to form integrated polymer/ceramic composite electrolytes for Li-S batteries. The in-situ formed interface eliminates voids and reduces interfacial resistance, achieving high ionic conductivity and stable cycling with suppressed polysulfide shuttling.

Relevance to DENG.Group

Relevant to Naibing Wu's polymer electrolyte and composite simulation work. The in-situ interface engineering concept offers a model system for simulating polymer/ceramic boundary effects on ion transport.

15. Phase-field simulation of lithium dendrite growth in solid-state batteries with multi-directional coupling

Source: Acta Physica Sinica · 📅 2026-04-20 · ↗ Open paper

Develops a 2D phase-field model for Li dendrite growth in SSBs with multi-directional coupling between electrochemical, mechanical, and thermal fields. Simulates growth morphology under varying current densities and SE mechanical properties, identifying critical conditions for dendrite penetration.

Relevance to DENG.Group

Directly relevant to Shoutong Jin's phase-field dendrite work. The multi-directional coupling approach and penetration criteria provide methodological benchmarks for comparison.