| Literature DB >> 21231773 |
Rajeev Ahuja1, Andreas Blomqvist, Peter Larsson, Pekka Pyykkö, Patryk Zaleski-Ejgierd.
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 PbO2 but also from PbSO4.Entities:
Year: 2011 PMID: 21231773 DOI: 10.1103/PhysRevLett.106.018301
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161