Predicting a two-dimensional P2S3 monolayer: A global minimum structure
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DOI: 10.1016/j.commatsci.2018.08.061
Abstract: Based on extensive evolutionary algorithm driven structural search, we propose a new diphosphorus trisulfide (P2S3) 2D crystal, which is dynamically, thermally and chemically stable as confirmed by the computed phonon spectrum and ab initio molecular… read more here.
Keywords: global minimum; two dimensional; structure; p2s3 monolayer ... See more keywords