• Bending energy of 2D materials: graphene, MoS2 and imogolite 

      González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile]; Valencia, Felipe J. [Univ Mayor, Fac Ciencias, Nucl Matemat Fis & Estadit]; Rogan, Joséé; Valdivia, Juan Alejandro; Sofo, Jorge; Kiwi, Miguel; Muñoz, Francisco (ROYAL SOC CHEMISTRY, 2018)
      The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS2), and imogolite. For graphene we obtained 3.43 eV angstrom(2) per atom for the bending ...
    • Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study 

      González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile]; Valencia, Felipe J. [Univ Mayor, Fac Ciencias, Nucl Matemat Fis & Estadit]; Hernández-Vázquez, E. E.; Bringa, E. M.; Moran-López, J. L.; Rogan, J.; Muñoz, F. (ROYAL SOC CHEMISTRY, 2018)
      We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big ...


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