Computational discovery, characterization, and design of single-layer materials

Houlong L. Zhuang, Richard G. Hennig

Research output: Contribution to journalArticle

32 Scopus citations

Abstract

Single-layer materials open up tremendous opportunities for applications in nanoelectronic devices and energy technologies. We first review the four components of a materials science tetrahedron for single-layer materials. We then provide a theoretical perspective of characterizing single-layer materials. This leads to a general data-mining process to predict and computationally characterize emerging single-layer materials. Finally, we comment on limitations and possible improvements of current computational procedures for the discovery, characterization, and design of single-layer materials.

Original languageEnglish (US)
Pages (from-to)366-374
Number of pages9
JournalJOM
Volume66
Issue number3
DOIs
StatePublished - Mar 1 2014
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

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