Thursday, February 20, 2014

A Multiscale Approach to Determine Binding Energy Distribution on Strained Surface

Nanoscale , 2014, Accepted Manuscript

DOI: 10.1039/C3NR04497A, Paper

Zilu Wang, Liyan Zhu, Jinlan Wang, Feng Ding

A multiscale approach was developed by combining ab initio calculations with classical molecular mechanics (MM) simulations to investigate the adsorption and diffusion of an adatom on a strained and/or defective...

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