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Structure analysis of PTCDA/Ag(100) by low-energy electron diffraction and density functional theory
23 February, 2026
This is one of the most challenging surface structures solved by the LEED-IV method so far, because the data set is limited and the molecules consist of a large number of atoms. Nevertheless, by usingsymmetry-restrictions and DFT support, the authors can identify significant corrugations of both the molecules and the underlying silver surface. This verifies the structural response to the chemical interactions across the interface on both the molecule and the metal surface.
Ina Krieger et al.
Phys. Rev. B 113, 075425 (2026)