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Stabilities of Isomers of Phosphorus on Transition Metal Substrates

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Title
Stabilities of Isomers of Phosphorus on Transition Metal Substrates
Author(s)
Yuling Yin; Vladislav Gladkikh; Pai Li; Leining Zhang; Yuan, Qinghong; Feng Ding
Publication Date
2021-12-14
Journal
Chemistry of Materials, v.33, no.23, pp.9447 - 9453
Publisher
American Chemical Society
Abstract
© 2021 American Chemical Society.Great efforts have been dedicated to synthesizing phosphorene on transition metal surfaces, but there has been limited success until now. The strong interaction between phosphorus and the substrate may lead to many possible highly stable isomers of phosphorus, making the synthesis of phosphorene difficult. Here, we studied whether functionalizing transition metal surfaces by different phosphorous isomers can assist the epitaxial growth of blue phosphorene. Using density functional theory, we systematically explored five families of phosphorous isomers, blue phosphorene, modified blue phosphorene, surface phosphide, metal-phosphorus hybrid, and blue phosphorene on surface phosphide, on six different transition metal surfaces, Ag(111), Au(111), Cu(111), Co(0001), Ni(111), and Pt(111). It is found that blue phosphorene can be formed on less active transition metal surfaces, such as Ag(111) and Au(111), if the flux of phosphorus is sufficiently high. On more active transition metal surfaces, surface phosphides tend to form first and blue phosphorene may be formed on top of the surface phosphide. This study highlights the structural diversity of the transition metal surfaces in an active environment and provides guidance for the synthesis of phosphorene on transition metal surfaces.
URI
https://pr.ibs.re.kr/handle/8788114/10917
DOI
10.1021/acs.chemmater.1c03489
ISSN
0897-4756
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > 1. Journal Papers (저널논문)
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