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

Houlong Zhuang, Richard G. Hennig

Research output: Contribution to journalArticle

26 Citations (Scopus)

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

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Nanoelectronics
Materials science
Data mining

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

Cite this

Computational discovery, characterization, and design of single-layer materials. / Zhuang, Houlong; Hennig, Richard G.

In: JOM, Vol. 66, No. 3, 01.03.2014, p. 366-374.

Research output: Contribution to journalArticle

Zhuang, Houlong ; Hennig, Richard G. / Computational discovery, characterization, and design of single-layer materials. In: JOM. 2014 ; Vol. 66, No. 3. pp. 366-374.
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