Relativity and the Lead-Acid Battery

被引：90

作者：

Ahuja, Rajeev ^{[1
]}

Blomqvist, Andreas ^{[1
]}

Larsson, Peter ^{[1
]}

Pyykko, Pekka ^{[2
]}

Zaleski-Ejgierd, Patryk ^{[2
]}

机构：

[1] Uppsala Univ, Div Mat Theory, Dept Phys & Astron, SE-75120 Uppsala, Sweden

[2] Univ Helsinki, Dept Chem, FI-00014 Helsinki, Finland

来源：

PHYSICAL REVIEW LETTERS | 2011年 / 106卷 / 01期

基金：

瑞典研究理事会;

关键词：

ELECTRONIC-STRUCTURE; HIGH-PRESSURE; DIOXIDE; MODEL; PBO;

D O I：

10.1103/PhysRevLett.106.018301

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页数：4

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