Research Digest — 2026-07-17¶
Solid Electrolytes & Roadmaps¶
1. 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¶
2. 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.
3. 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¶
4. 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.
5. 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.