Velasco, J., Buteler, L., (2017). Simulaciones computacionales en la enseñanza de la física: una revisión crítica de los últimos años. Enseñanza de las Ciencias, 35.2, Simulaciones computacionales en la enseñanza de la física: una revisión crítica de los últimos años RESUMEN • Numerosos artículos fueron publicados en el campo de las simulaciones computacionales en los últimos veinte años. Sin embargo, la extensión de esta área y la diversidad de resultados dificultan la iniciación en ella. A pesar de la existencia de algunas revisiones en simulaciones computacionales, no resultan iluminadoras ya que los aspectos metodológicos son excluidos. Con el fin de atender estas necesidades, se realiza una revisión bibliográfica de investigaciones sobre simulaciones computacionales en enseñanza de la física de los últimos diecisiete años. La información se clasificó de acuerdo con categorías según las características de las investigaciones recabadas.. Los resultados muestran una fuerte tendencia de los artículos por analizar el impacto que tiene la utilización de simulaciones en el desempeño de los estudiantes. Se destacan diversos puntos de consenso y disenso en la comunidad para los principales temas en discusión.PALABRAS CLAVE: simulaciones computacionales; TIC; revisión. ABSTRACT • Many articles were published about computational simulations in the last twenty years. However, the extension of the field and the variety of results make it difficult to take up work in this area of research. In spite of some existing reviews about computational simulations, results are dissimilar and they usually focus on outcomes. The strategies and methodologies are often excluded from compilations, which contribute to the confusing scene of this area. In order to meet these needs, this work offers a critical review of the literature of the last 17 years. This review is oriented to give a general view of the actual state of this field and it is focused on the main nucleus of agreement and discussions in the literature, regarding methodological aspects too. A certain tendency was observed from the results: most of articles are characterized for analyzing the impact of using programs to teach. Agreements and points of discussion are exposed.

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Lithium-sulfur batteries are considered one of the possible next-generation energy-storage solutions, but to be commercially available many drawbacks have yet to be solved. One solution with great potentiality is the use of lithium sulfide as cathode material since it can be coupled to Li-free anodes, such as graphite, Si or Sn. Nevertheless, Li 2 S, like sulfur, is electronically and ionically insulating, with a high activation potential for its initial oxidation step. To overcome this issue, different strategies have been explored, one of them being the use of catalytic surfaces. In the present article, we study using first principles calculations the effect of the dielectric constant of the solvent on the activation energy of the cleavage reaction of Li 2 S on different catalytic surfaces. To the best of our knowledge, this is the first time that such a study is undertaken. We find that the effect of the solvent should be twofold: on one side, it should decrease the interaction between the Li 2 S molecule and the surface. On the other side, since the species arising in the dissociation reaction are charged, the solvent should decrease the activation barrier for the dissociation of the Li 2 S molecule, when compared with the reaction in vacuum. These theoretical findings are discussed in connection with experimental results from the literature, where the behaviour of the Li-S cathode is studied in different solvents.