Research Articles
Rigorous, data-backed materials science insights — from kill reports on failed approaches to state-of-technology landscapes.
8 articles
DFT Disagreement Survey: Perovskite Oxides
Cross-source DFT disagreement analysis for 0 Perovskite Oxides compositions.
Read articleDFT Disagreement Survey: Transition Metal Phosphates
Cross-source DFT disagreement analysis for 0 Transition Metal Phosphates compositions.
DFT Disagreement Survey: Garnet Electrolytes
Cross-source DFT disagreement analysis for 0 Garnet Electrolytes compositions.
Where DFT Codes Disagree: A Cross-Database Energy Map
Cross-source DFT disagreement analysis across 0 compositions. 0 show high disagreement where independent DFT databases predict substantially different thermodynamic stability.
DFT Disagreement Survey: Sodium Layered Oxides
Cross-source DFT disagreement analysis for 0 Sodium Layered Oxides compositions.
DFT Disagreement Survey: Lithium Oxides
Cross-source DFT disagreement analysis for 0 Lithium Oxides compositions.
State of Solid-State Batteries in 2025: What the Data Actually Shows
Solid-state batteries promise higher energy density, faster charging, and improved safety over liquid electrolyte cells. But computational screening of 14,000+ candidate electrolytes and analysis of 340 patent filings reveals a gap between press releases and material reality. Here is what the data says about sulfide, oxide, and polymer electrolyte families — and which approaches are closest to commercialization.
Why LiCoO2 Fails as a Next-Generation EV Battery Cathode
Lithium cobalt oxide dominated consumer electronics for decades, but scaling it to electric vehicles reveals fundamental structural, thermal, and economic failures. We analyzed 47 computational studies and 12 experimental datasets — nearly 15,000 structural relaxations and 1,200+ cells — to show why no amount of engineering can overcome LCO physics for automotive applications.