Literature DB >> 21231773

Relativity and the lead-acid battery.

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


  6 in total

1.  A comparison of computational methodologies for the structural modelling of biologically relevant zinc complexes.

Authors:  Gökcen Savasci; Merlys Borges-Martínez; Raphael J F Berger; Christian Ochsenfeld; Raúl Mera-Adasme
Journal:  J Mol Model       Date:  2019-08-09       Impact factor: 1.810

Review 2.  Understanding Periodic and Non-periodic Chemistry in Periodic Tables.

Authors:  Changsu Cao; René E Vernon; W H Eugen Schwarz; Jun Li
Journal:  Front Chem       Date:  2021-01-06       Impact factor: 5.221

3.  The gold(i)···lead(ii) interaction: a relativistic connection.

Authors:  Raquel Echeverría; José M López-de-Luzuriaga; Miguel Monge; M Elena Olmos
Journal:  Chem Sci       Date:  2014-12-22       Impact factor: 9.825

4.  Relativistic Hirshfeld atom refinement of an organo-gold(I) compound.

Authors:  Sylwia Pawlędzio; Maura Malinska; Magdalena Woińska; Jakub Wojciechowski; Lorraine Andrade Malaspina; Florian Kleemiss; Simon Grabowsky; Krzysztof Woźniak
Journal:  IUCrJ       Date:  2021-05-26       Impact factor: 4.769

5.  A Spectroscopic Validation of the Improved Lennard-Jones Model.

Authors:  Rhuiago Mendes de Oliveira; Luiz Guilherme Machado de Macedo; Thiago Ferreira da Cunha; Fernando Pirani; Ricardo Gargano
Journal:  Molecules       Date:  2021-06-26       Impact factor: 4.411

6.  Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 perovskites for solar cell applications.

Authors:  Paolo Umari; Edoardo Mosconi; Filippo De Angelis
Journal:  Sci Rep       Date:  2014-03-26       Impact factor: 4.379

  6 in total

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