Publication Date:
2011-03-09
Description:
Author(s): Otello Maria Roscioni, Nicholas Zonias, Stephen W. T. Price, Andrea E. Russell, Tatiana Comaschi, and Chris-Kriton Skylaris We present a computational approach for the simulation of extended x-ray absorption fine structure (EXAFS) spectra of nanoparticles directly from molecular dynamics simulations without fitting any of the structural parameters of the nanoparticle to experimental data. The calculation consists of two ... [Phys. Rev. B 83, 115409] Published Tue Mar 08, 2011
Keywords:
Surface physics, nanoscale physics, low-dimensional systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics