Oxidation-induced negative Poisson's ratio of phosphorene

Feng HAO, Xiangbiao LIAO, Mingjia LI, Hang XIAO, Xi CHEN

Research output: Journal PublicationsJournal Article (refereed)peer-review

10 Citations (Scopus)


Mechanical properties of phosphorene oxides are investigated by using density functional theory calculations. Intriguingly, as the oxygen coverage approaches 50%, negative Poisson's ratios are found in the in-plane principal directions, originating from the asymmetric atomic structure upon oxygen adsorption. It is demonstrated that the structure of phosphorene oxide is largely weakened compared with that of pristine phosphorene. Our work indicates that certain unconventional mechanical properties, such as the negative Poisson's ratio, can be achieved by tuning the atomic structure through simple processes, which offers a new avenue to design specific properties at the nanoscale. © 2018 IOP Publishing Ltd.
Original languageEnglish
Article number315302
JournalJournal of Physics Condensed Matter
Issue number31
Publication statusPublished - 11 Jul 2018
Externally publishedYes

Bibliographical note

XC acknowledges the support from the National Natural Science Foundation of China (11172231 and 11372241), Advanced Research Projects Agency—Energy (DEAR0000396) and Air Force Office of Scientific Research (FA9550-12-1-0159).


  • asymmetric
  • phosphorene oxide
  • Poisson's ratio
  • strain
  • Young's modulus


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