Catalyst screening with volcano plots
Volcano plots are the standard framework for electrocatalyst screening. This tutorial shows how to use Lattice Graph to generate, customize, and act on volcano plot analysis for HER and OER catalyst discovery.
Understanding volcano plot analysis
Volcano plots map catalytic activity (overpotential or current density) against a descriptor property (typically binding energy of a key intermediate). The optimal catalyst sits at the peak of the volcano, where binding is neither too strong nor too weak. Lattice Graph generates these plots from compiled DFT binding energy data across multiple catalyst databases.
Generating HER and OER volcano plots
Navigate to Dashboard > Catalysts > HER/OER to access the volcano plot tool. Select your reaction type (HER, OER, or ORR), choose the descriptor (hydrogen binding energy for HER, oxygen binding energy difference for OER), and optionally filter by composition family or crystal structure. The plot renders with interactive tooltips showing material identity, source, and confidence.
Identifying promising candidates
Materials near the volcano peak with high cross-source confidence scores are your strongest candidates. Use the selection tools to highlight candidates within a target overpotential range and export them to a catalyst discovery workflow for deeper analysis including stability screening, synthesis feasibility, and cost estimation.
From plot to workflow
The catalyst discovery workflow takes selected candidates through additional screening: electrochemical stability, Pourbaix diagram analysis, synthesis route availability, and supply chain risk. Each step produces traceable evidence that connects back to the original volcano plot selection rationale.
Ready to try it yourself?
Start exploring materials data with cross-source confidence, simulation workflows, and the tools described in this resource.