Designing the atomic architecture
of sustainable sodium-ion materials.
An AI discovery engine by QuantaLabs. Accelerating sustainable hard carbon anodes from agricultural biowaste with atomistic quantum physics.
CleanTech • AgriTech • ClimateTech
IONZE bridges agricultural residue valorization with sovereign, low-carbon sodium-ion battery storage—replacing foreign synthetic graphite monopolies with regional bio-circular materials.
100x Value Addition for Agricultural Residue
Upcycling abundant South Indian coconut shells (Pollachi/Coimbatore belt), rice husks, and sugarcane bagasse into battery active material worth $5,000–$10,000/ton, creating direct farmer income and preventing open-field crop residue burning.
60%+ Lower Thermal Footprint vs. Synthetic Graphite
Eliminates fossil-fuel intensive 3,000°C Acheson synthetic graphite furnaces by operating at 1,200°C bio-pyrolysis. Utilizing photosynthetically sequestered carbon delivers near net-zero embodied carbon anodes.
Non-Toxic, Zero-Graphite Grid & Mobility Storage
Sodium-ion eliminates reliance on scarce lithium, nickel, and cobalt. Our atomistic DFT engine designs the required disordered nano-architecture (d₀₀₂ > 0.37 nm) to break foreign graphite supply chokeholds.
Accelerating Sodium-Ion Hard Carbon Discovery
A physics-grounded platform coupling open literature screening, atomistic DFT quantum simulation, and automated inverse recipes for sodium-ion hard carbon anodes.
Synthesizing battery-grade hard carbon requires balancing closed pore volume, d₀₀₂ interlayer spacing (>0.37 nm), and defect annealing. IONZE shrinks discovery cycles from 18 months to 2 months.
From Atomistic Model to Production Anode
Three integrated computational stages turning raw agricultural biomass and synthetic precursors into commercial sodium-ion battery active materials with mathematical precision.
Quantum Intercalation DFT
Simulating sodium binding energy (E_b ≈ -1.82 eV) and turbostratic graphene supercells with Quantum ESPRESSO. Accurately predicting interlayer spacing (d₀₀₂ > 0.37 nm) to suppress dendrite growth before furnace runs.
1,200°C Closed-Pore Pyrolysis
Automated heating ramps between 900°C and 1,400°C under ultra-pure argon. Eliminates surface oxygen groups and tailors closed micropore volume to drive Initial Coulombic Efficiency (ICE) past 88%.
Automated Electrochemical Cycling
Closed-loop robotic synthesis and cycling in coin and pouch cell formats. Validates low-potential plateau capacity (>200 mAh/g), rate performance up to 5C, and 1,000+ cycle stability.
Compressing Eighteen Months of Chemistry into Weeks
Traditional battery discovery relies on blind wet-lab trial-and-error. IONZE calculates synthesis windows, defect states, and closed-porosity upfront.
Specialized Computational Engines
Four dedicated materials intelligence tools designed for precursor suppliers, battery cell manufacturers, and computational electrochemists.
Synthesis Predictor
Input precursor chemistry (Coconut shell, Sucrose, Pitch, Lignin) and carbonization temperatures (900°C to 1500°C) to predict reversible capacity and ICE in seconds.
Cycling Curve Analyzer
Inspect full charge-discharge profiles, separating slope capacity from the flat low-potential plateau to verify sodium storage mechanisms up to 5C.
Turbostratic Materials Atlas
Search over 141 audited peer-reviewed literature records, complete with precursor compositions, d₀₀₂ interlayer measurements, and verified test conditions.
Atomistic DFT Visualizer
Simulate turbostratic supercells and calculate sodium-ion migration barriers to verify dendrite-free intercalation at the sub-nanometer scale.