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1.
J Chem Phys ; 157(12): 124303, 2022 Sep 28.
Article in English | MEDLINE | ID: mdl-36182431

ABSTRACT

Structural prediction of thiolate-protected gold nanoclusters (AuNCs) with diverse charge states can enrich the understanding of this species. Untill now, the number of anion AuNCs is still deficient. In this work, a series of gold nanoclusters with negative total charge, including [Au28(SR)17]-, [Au35(SR)20]-, [Au42(SR)23]-, [Au49(SR)26]-, and [Au56(SR)29]-, are designed. Following a crystallized [Au23(SR)16]- prototype structure, the inner core of the newly predicted clusters is obtained through packing crossed Au7. Next, proper protecting thiolate ligands are arranged to fulfill the duet rule to obtain Au3(2e) and Au4(2e). Extensive analysis indicates that these clusters own high stabilities. Molecular orbital analysis shows that the orbitals for the populations of the valence electron locate at each Au3(2e) and Au4(2e), which demonstrates the reliability of the grand unified model. This work should be helpful for enriching the structural diversity of AuNCs.


Subject(s)
Electrons , Gold , Anions , Gold/chemistry , Ligands , Reproducibility of Results
2.
Phys Rev E ; 93(5): 053209, 2016 May.
Article in English | MEDLINE | ID: mdl-27300997

ABSTRACT

The effect of a transient magnetic field on right-hand circularly polarized (RHCP) laser light propagation in overcritical-density plasma is investigated. When the electron gyrofrequency is larger than the wave frequency, RHCP light can propagate along the external magnetic field in an overcritical density plasma without resonance or cutoff. However, when the magnetic field falls to below the cyclotron resonance point, the propagating laser pulse will be truncated and the local plasma electrons resonantly heated. Particle-in-cell simulation shows that when applied to a thin slab, the process can produce intense two-cycle light pulses as well as long-lasting self-magnetic fields.

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