On length scales and approximations in the modelling of applied surface science phenomena

Science Talks(2022)

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摘要
Modern applied surface science offers a wealth of computationally accessible routes to describing important - and lesser - surface phenomena. Generally, these often involve systems which are supported, have thin-film components or which are extended. In response computational techniques have been developed to provide insight into surface phenomena in environments which are accessible to, and of interest to, the experimental scientist.
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关键词
Strain engineering,Nanoparticle surfaces,Theoretical techniques,Force-field methods,Density Functional Theory
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