| Autor: |
Ahuja, Rajeev, Blomqvist, Andreas, Larsson, Peter, Pyykkö, Pekka, Zaleski-Ejgierd, Patryk |
| Rok vydání: |
2010 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1103/PhysRevLett.106.018301 |
| Popis: |
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. |
| Databáze: |
arXiv |
| Externí odkaz: |
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