Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structuresPhysical Review B - Condensed Matter and Materials Physics (2007)
To enable the determination of detailed structures of nanomaterials, we extend the theory of low-energy electron diffraction (LEED) to become more efficient for complex and disordered systems. Our new cluster approach speeds up the computation to scale as , rather than the current or , with n the number of atoms, for example, making nanostructures accessible. Experimental methods to measure LEED data already exist or have been proposed. Potential application to ordered anoparticles are illustrated here for C n log n n3 n2 60 molecules adsorbed on a Cu(111) surface, with and without co-adsorbed metal atoms, as well as for adsorbed carbon nanotubes. These demonstrate sensitivity to important structural features such as size and deformation of the nanostructures.
Citation InformationG. M. Gavaza, Z. X. Yu, L. Tsang, C. H. Chan, et al.. "Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structures" Physical Review B - Condensed Matter and Materials Physics Vol. 75 Iss. 1 (2007) p. 014114-1 - 014114-11 ISSN: 1550235X
Available at: http://works.bepress.com/mavanhove/84/