Effects of -H and -OH Termination on Adhesion of Si-Si Contacts Examined Using Molecular Dynamics and Density Functional Theory

The contact between nanoscale single-crystal silicon asperities and substrates terminated with -H and -OH functional groups is simulated using reactive molecular dynamics (MD). Consistent with previous MD simulations for self-mated surfaces with -H terminations only, adhesion is found to be low at f...

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Publié dans:	Langmuir : the ACS journal of surfaces and colloids. - 1985. - 40(2024), 9 vom: 05. März, Seite 4601-4614
Auteur principal:	Schall, J David (Auteur)
Autres auteurs:	Morrow, Brian H, Carpick, Robert W, Harrison, Judith A
Format:	Article en ligne
Langue:	English
Publié:	2024
Accès à la collection:	Langmuir : the ACS journal of surfaces and colloids
Sujets:	Journal Article