The problem
Plenty of compositions look excellent on activity and dissolve in weeks under acidic oxygen evolution at potential. Bulk formation energies do not capture that, so activity-only screening produces candidate lists that waste lab time.
How it works
- Surface and bulk energetics from the same relaxation used for activity screening.
- A dissolution-risk estimate under acidic OER conditions, reported as a graded risk with the reasoning exposed.
- An estimated metal-loss rate, so stability can enter the cost model rather than sitting beside it.
Screened together with activity
A candidate that is active and unstable is filtered in the same run.
Feeds the cost model
Predicted loss rate drives stack replacement cost, not just a warning label.
Graded, not binary
Risk is reported on a scale with its basis shown, because the underlying physics is not binary either.
Questions
Is this a full Pourbaix analysis?
No — it is a proxy calibrated for acidic OER screening. Full Pourbaix integration is on the roadmap and will be versioned separately so results stay comparable.
Why does stability matter for cost?
Because a catalyst that degrades forces earlier stack replacement, and stack replacement is a large share of levelised cost. Stability is an economic variable, not only a technical one.
Related
OER activity screening
Rank candidates by oxygen-evolution activity without setting up a single calculation.
Cost-per-kilogram closure
The number that decides whether a candidate is worth making.
Provenance & reproducibility
A result you cannot reproduce is an opinion.
Try it on your own chemistry
Early access includes free credits. The LCOH calculator is free and needs no account.