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Carbon vacancy-assisted stabilization of individual Cu5 clusters on graphene. Insights from ab initio molecular dynamics
Lenard L. Carroll, Lyudmila V. Moskaleva and María Pilar de Lara-Castells Physical Chemistry Chemical Physics 25(23) 15729 (2023) https://doi.org/10.1039/D2CP05843J
High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules
Coexistence of Both Localized Electronic States and Electron Gas at Rutile TiO2 Surfaces
Shengchun Shen, Meng Wang, Yang Zhang, Yingjie Lyu, Di Tian, Chang Gao, Youwen Long, Jin Zhao and Pu Yu Advanced Materials 35(30) (2023) https://doi.org/10.1002/adma.202301453
Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5–Cu5)n (n < 3) cases
Berta Fernández and María Pilar de Lara-Castells Physical Chemistry Chemical Physics 24(44) 26992 (2022) https://doi.org/10.1039/D2CP03537E