Research Digest — 2026-07-17¶
Solid Electrolytes & Roadmaps¶
1. 2026 Roadmap on Next-Generation Solid Electrolytes for Battery Applications¶
Source: Materials Futures (10.1088/2752-5724/ae5120) · 📅 2026-07-10 · ↗ Open paper
A comprehensive community roadmap outlining future directions for solid electrolyte research, covering polymer, oxide, sulfide, and halide families. Covers manufacturing methods, high-throughput experimentation, modeling/simulation, and ML-driven SE design as key enablers for predictive materials discovery.
Relevance to DENG.Group
Directly maps to the group's research portfolio across all SE families. Useful for positioning our work relative to community priorities and identifying white-space opportunities for tenure narrative.
2. Challenges, Strategies and Prospects in Interfaces Between Li Metal Anode and Polyether-Based Solid-State Electrolytes¶
Source: Energy Materials (2026.01) · 📅 2026-07-08 · ↗ Open paper
Review covering interfacial challenges between Li metal and polyether-based SPEs, covering PEO-based systems, composite approaches, and in-situ interphase engineering. Discusses lithium dendrite suppression strategies and recent advances in polyamine-mediated dual-capture for high-voltage PEO batteries.
Relevance to DENG.Group
Highly relevant to Naibing's polymer electrolyte simulation work. Provides current-state benchmarking for PEO-based and composite SPE interface strategies.
ML Interatomic Potentials¶
3. Machine-Learning Interatomic Potentials for Interfaces in All-Solid-State Batteries: Perspectives on Training Data, Model Selection, and Validation¶
Source: MRS Communications (2026) · 📅 2026-02-17 · ↗ Open paper
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 best practices for constructing diverse training sets, choosing ML architectures, and rigorous performance validation for disordered interface environments.
Relevance to DENG.Group
Core methodology paper for Yanhao's ML potential work and Umang/Cheng's interface/GB simulations. Practical guidance on training data design and validation directly applicable to our MTP/NEP workflows.
4. Performance-Based Selection of Machine Learning Interatomic Potentials¶
Source: Chemistry of Materials (10.1021/acs.chemmater.5c02352) · 📅 2026-06-15 · ↗ Open paper
Systematic benchmark study comparing MLIP architectures on accuracy and computational efficiency for materials applications. Addresses the challenge of model selection by proposing performance-based metrics that go beyond energy/force RMSE to evaluate thermodynamic and kinetic property prediction.
Relevance to DENG.Group
Important reference for justifying ML potential model choices in our papers. Provides framework for systematic comparison relevant to Yanhao's MTP vs. other potential benchmarks.
5. SandboxAQ Releases AQVolt26: MLIP Dataset for Solid-State Battery Modeling¶
Source: Battery Power Online · 📅 2026-04-09 · ↗ Open paper
SandboxAQ released AQVolt26, a dataset of 322,656 high-fidelity r2SCAN DFT calculations of lithium halide electrolytes at high temperatures (>1000 K). Designed to fill the 'soft material' gap in universal MLIPs where highly polarizable anions create shallow energy basements. Built using GCP and NVIDIA DGX H100 hardware.
Relevance to DENG.Group
Directly relevant to Yan Li and Mengke Li's halide electrolyte work. This dataset could improve ML potential accuracy for Li3YCl6 and similar systems we study, particularly for high-T ionic transport simulations.
6. Machine Learning Pipelines for the Design of Solid-State Electrolytes¶
Source: Materials Horizons (10.1039/d5mh01525a) · 📅 2026-05-20 · ↗ Open paper
Comprehensive survey of ML pipelines for SE discovery, covering data resources, feature engineering, classical models, deep learning architectures, and high-throughput screening. Discusses end-to-end workflows from DFT data generation to property prediction and materials recommendation.
Relevance to DENG.Group
Useful reference for framing our ML-accelerated discovery pipeline. Provides context for how our group's approach fits within the broader computational materials discovery landscape.
Halide Electrolytes¶
7. A Moisture-Stable High-Entropy Halide Electrolyte with Performance Enhancement¶
Source: Materials Horizons (10.1039/d6mh00223d) · 📅 2026-07-01 · ↗ Open paper
Reports a high-entropy halide solid electrolyte (HSE) that achieves improved moisture stability without sacrificing ionic conductivity. The high-entropy strategy stabilizes the crystal structure against hydrolysis, addressing one of the key practical barriers for halide electrolyte commercialization.
Relevance to DENG.Group
Novel strategy relevant to Yan Li and Mengke Li's halide degradation studies. High-entropy approach could be an interesting simulation target for understanding moisture-driven degradation mechanisms.
8. Challenges of the Infiltration Method for Halide-Based Solid-State Battery Cathodes¶
Source: Nature Scientific Reports (10.1038/s41598-026-47289-w) · 📅 2026-07-05 · ↗ Open paper
Systematic study examining the infiltration method for fabricating halide-based ASSB cathodes. Identifies processing challenges including particle-size effects, mixing quality, and interfacial contact optimization. Compares halide electrolyte processing with sulfide (LPSC) counterparts.
Relevance to DENG.Group
Processing-microstructure-property relationships here are directly relevant to understanding halide catholyte performance. Provides experimental context for Mengke Li's ion transport simulations in halide systems.
9. From Promise to Production: Strategy for Halide-Based All-Solid-State Batteries¶
Source: Advanced Energy Materials (10.1002/aenm.202505286) · 📅 2026-06-20 · ↗ Open paper
Strategic roadmap perspective for developing halide-based ASSB pilot lines. Covers key manufacturing scale-up challenges, electrode/electrolyte processing, and performance/cost trade-offs for transitioning halide electrolytes from lab to pilot-scale production.
Relevance to DENG.Group
Provides the translational context for our group's halide research. Important for framing the applied significance of fundamental simulation work to reviewers and grant committees.
10. Redox-Active Halide Solid Electrolytes for Stable High-Energy All-Solid-State Batteries¶
Source: LBL Technology Disclosure (2026-027) · 📅 2026-02-09 · ↗ Open paper
Berkeley Lab reports a new class of redox-active halide SSEs (including Li3YCl6) that exploit 'dynamic stability' — controlled, structurally reversible redox reactions — to extend the electrochemical stability window. Demonstrated >1000h symmetric cell cycling and >500 full-cell cycles. Compatible with Si anodes and high-voltage cathodes (NMC, DRX).
Relevance to DENG.Group
Paradigm-shifting concept for halide electrolytes. The 'dynamic stability' mechanism is highly relevant to Yan Li's degradation studies — our simulations could help rationalize why structural reversibility is maintained in certain halide compositions.
Battery Interfaces & Dendrite Growth¶
11. How Soft Lithium Dendrites Crack Hard Ceramic Solid Electrolytes¶
Source: Nature (via ScienceDaily summary) · 📅 2026-07-10 · ↗ Open paper
Max Planck Institute (MPI-SusMat) team resolves the long-standing mystery of how soft Li dendrites penetrate stiff ceramic electrolytes. Through cryogenic vacuum characterization, they show hydrostatic stress in the dendrite leads to brittle fracture of the electrolyte — like 'a continuous waterjet penetrating rock.' Electron leakage along grain boundaries was ruled out. Phase field simulations and EBSD measurements confirm the mechanism.
Relevance to DENG.Group
Directly relevant to Shoutong Jin's phase field dendrite work. The fracture mechanism (hydrostatic stress-driven brittle fracture) provides a key physics target for his simulations. This Nature paper will be a must-cite for dendrite/SE fracture modeling.
12. Modeling and Simulation Approaches for Solid-State Battery Interfaces¶
Source: Dalton Transactions (10.1039/d5dt02804c) · 📅 2026-06-10 · ↗ Open paper
Comprehensive review of computational methods for SSB interfaces, covering DFT, MD, phase field, and continuum-scale approaches. Discusses how electro-chemo-mechanical coupling at interfaces governs performance and degradation, and identifies gaps in current multi-scale modeling frameworks.
Relevance to DENG.Group
Key reference for Umang and Cheng's interface/GB work. Useful for identifying which simulation methods are most appropriate for different interface phenomena and justifying method choices in manuscripts.
13. Combination of High-Throughput Phase Field Modeling and Machine Learning for Full-Cell Battery Simulation¶
Source: Energy Storage Materials (10.1016/j.ensm.2024.103683) · 📅 2026-01-15 · ↗ Open paper
Introduces a phase field model for full-cell galvanostatic cycling that accounts for dead lithium formation, combined with ML for parameter optimization. Demonstrates how ML-accelerated phase field can make full-cell dendrite simulations computationally tractable.
Relevance to DENG.Group
Methodologically aligned with Shoutong's dendrite simulation work. The PF+ML combination approach could inspire more efficient simulation strategies for complex dendrite morphologies.
Polymer Electrolytes¶
14. Advanced Design and Characterization of Polyether-Based Solid-State Electrolytes¶
Source: Advanced Materials (10.1002/adma.202515430) · 📅 2026-06-25 · ↗ Open paper
Review of polyether-based SPE design covering interfacial flexibility, Li-ion transport mechanisms, and recent advances in molecular engineering. Covers single-ion conductor strategies and composite approaches for enhancing transference number and suppress dendrite growth.
Relevance to DENG.Group
Directly relevant to Naibing's polymer electrolyte simulation work. Provides design principles that can be validated computationally.
15. Polyamine-Mediated Proton/TFSI Dual Capture Enables High-Voltage PEO-Based All-Solid-State Li Batteries¶
Source: Advanced Materials (e20538, ref from Energy Materials review) · 📅 2026-05-15 · ↗ Open paper
Novel approach using polyamine additives to capture both protons and TFSI anions in PEO-based SPEs, enabling high-voltage (>4.5V) operation. Addresses the narrow electrochemical window limitation of PEO through dual-capture mechanism rather than chemical modification of the polymer backbone.
Relevance to DENG.Group
Relevant to Naibing's work — the dual-capture mechanism could be an interesting simulation target for understanding ion-polyamine coordination and its effect on electrochemical stability.