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arXiv:1008.4872cond-mat.mtrl-sci

Relativity and the lead-acid battery

Rajeev Ahuja, Andreas Blomqvist, Peter Larsson, Pekka Pyykkö, Patryk Zaleski-Ejgierd

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Abstract

The energies of the solid reactants in the lead-acid battery are calculated ab initio using two different basis sets at non-relativistic, 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 PbO2 but also from PbSO4.

arXiv comments
Journal reference
DOI
doi:10.1103/PhysRevLett.106.018301
Subjects
cond-mat.mtrl-sciMaterials Science

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