First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies

2022-09-19T15:57:10+02:00Tags: , |

Authors: de Lara-Castells, Maria Pilar Journal: JOURNAL OF COLLOID AND INTERFACE SCIENCE Publication date: 2022/04/06 DOI: 10.1016/j.jcis.2021.12.186 Abstract: The very recent development of highly selective techniques making possible the synthesis and experimental characterization of subnanometric (subnanometer-sized) metal clusters (even single atoms) is pushing our understanding far beyond the present knowledge in materials science, driving these [...]

First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies

2022-06-22T16:34:21+02:00Tags: , |

Authors: de Lara-Castells, Maria Pilar Journal: JOURNAL OF COLLOID AND INTERFACE SCIENCE Publication date: 2022/04/06 DOI: 10.1016/j.jcis.2021.12.186 Abstract: The very recent development of highly selective techniques making possible the synthesis and experimental characterization of subnanometric (subnanometer-sized) metal clusters (even single atoms) is pushing our understanding far beyond the present knowledge in materials science, driving these [...]

Growth of rare gases on coronene

2022-04-05T17:41:03+02:00Tags: , |

Authors: Garcia-Arroyo, Esther; Hernandez, Marta, I; Gonzalez-Lezana, Tomas; Campos-Martinez, Jose; Hernandez-Rojas, Javier; Breton, Jose Journal: THEORETICAL CHEMISTRY ACCOUNTS Publication date: 2021/07/01 DOI: 10.1007/s00214-021-02782-5 Abstract: We study the growth of rare gases (Rg) Ne, Ar and Kr on coronene (Cor) molecules, Cor-(Rg)(N). The study is taken up to sizes N=60, and we show the global energy [...]

Growth of rare gases on coronene

2021-10-28T11:14:31+02:00Tags: , |

Authors: Garcia-Arroyo, Esther; Hernandez, Marta, I; Gonzalez-Lezana, Tomas; Campos-Martinez, Jose; Hernandez-Rojas, Javier; Breton, Jose Journal: THEORETICAL CHEMISTRY ACCOUNTS Publication date: 2021/06/07 DOI: 10.1007/s00214-021-02782-5 Abstract: We study the growth of rare gases (Rg) Ne, Ar and Kr on coronene (Cor) molecules, Cor-(Rg)(N). The study is taken up to sizes N=60, and we show the global energy [...]

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