Abstract
The energies of the solid reactants in the lead-acid battery are calculated ab initio using two different basis sets at nonrelativistic, scalar-relativistic, and fully relativistic levels, and using several exchange-correlation potentials. The average calculated standard voltage is 2.13 V, compared with the experimental value of 2.11 V. All calculations agree in that 1.7–1.8 V of this standard voltage arise from relativistic effects, mainly from but also from .
- Received 30 August 2010
DOI:https://doi.org/10.1103/PhysRevLett.106.018301
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