Understanding Defects in Amorphous Silicon with Million‐Atom Simulations and Machine Learning

The structure of amorphous silicon (a‐Si) is widely thought of as a fourfold‐connected random network, and yet it is defective atoms, with fewer or more than four bonds, that make it particularly interesting. Despite many attempts to explain such “dangling‐bond” and “floating‐bond” defects, respecti...

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Veröffentlicht in:	Angewandte Chemie 2024-05, Vol.136 (22), p.n/a
Hauptverfasser:	Morrow, Joe D., Ugwumadu, Chinonso, Drabold, David A., Elliott, Stephen R., Goodwin, Andrew L., Deringer, Volker L.
Format:	Artikel
Sprache:	eng
Schlagworte:	Amorphous materials Amorphous silicon Chemical bonds Computational chemistry Coordination coordination defects Defects Machine learning Silicon solid-state structures Structural models
Online-Zugang:	Volltext
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