Dynamic Phase Engineering of Bendable Transition Metal Dichalcogenide Monolayers

Joel Berry, Songsong Zhou, Jian Han, David J. Srolovitz, Mikko P. Haataja

Research output: Contribution to journalArticlepeer-review

41 Scopus citations


Current interest in two-dimensional (2D) materials is driven in part by the ability to dramatically alter their optoelectronic properties through strain and phase engineering. A combination of these approaches can be applied in quasi-2D transition metal dichalcogenide (TMD) monolayers to induce displacive structural transformations between semiconducting (H) and metallic/semimetallic (T′) phases. We classify such transformations in Group VI TMDs, and formulate a multiscale, first-principles-informed modeling framework to describe evolution of microstructural domain morphologies in elastically bendable 2D monolayers. We demonstrate that morphology and mechanical response can be controlled via application of strain either uniformly or through local probes to generate functionally patterned conductive T′ domains. Such systems form dynamically programmable electromechanical 2D materials, capable of rapid local switching between domains with qualitatively different transport properties. This enables dynamic "drawing" of localized conducting regions in an otherwise semiconducting TMD monolayer, opening several interesting device-relevant functionalities such as the ability to dynamically "rewire" a device in real time.

Original languageEnglish (US)
Pages (from-to)2473-2481
Number of pages9
JournalNano Letters
Issue number4
StatePublished - Apr 12 2017

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • Condensed Matter Physics
  • Mechanical Engineering
  • Bioengineering
  • General Materials Science


  • 2D materials
  • dynamically programmable materials
  • multiscale modeling
  • phase field microelasticity
  • strain-induced structural transformations
  • transition metal dichalcogenides


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