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Ding, Feng
IBS - Center for Multidimensional Carbon Materials (CMCM)
Research Interests
  • Theoretical methods development for materials studies.
  • The formation mechanism of various carbon materials, from fullerene to carbon nanotube and graphene.
  • Kinetics and thermodynamics of materials growth and etching.
  • The structure, properties and fundamentals of nanomaterials.
  • The experimental synthesis of carbon nanotubes.

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Phosphorus Chains and Pentamers: The Precursors of Blue Phosphorene on the Ag(111) Substrate

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Title
Phosphorus Chains and Pentamers: The Precursors of Blue Phosphorene on the Ag(111) Substrate
Author
Yin, YulingGladkikh, VladislavYuan, QinghongDing, Feng
Issue Date
2022-09
Publisher
AMER CHEMICAL SOC
Citation
CHEMISTRY OF MATERIALS, v.34, no.18, pp.8230 - 8236
Abstract
Phosphorus (P) has many isomers of very similar stabilities that makes the controllable synthesis of each isomer difficult. Although numerous experiments have been devoted to the synthesis of blue phosphorene (BLP), there is still limited success. Here, we present a systematic theoretical study of the phosphorus isomers on the Ag(111) surface. We found that onedimensional armchair chains have high stability at a low P concentration, and five-membered rings of phosphorus or phosphorus pentamers are the most stable structures at medium P concentration. We also identified a few patterns of phosphorus pentamers on the Ag(111) surface, one of which agrees well with experimental observation. Finding that BLP is highly stable at high P coverage, we predict the transformation from phosphorus chains through pentamers to BLP on the Ag(111) surface. Our theoretical study provides a guideline for the experimental synthesis of BLP on the Ag(111) surface.
URI
https://scholarworks.unist.ac.kr/handle/201301/59711
DOI
10.1021/acs.chemmater.2c01543
ISSN
0897-4756
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