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Two‐Dimensional Phosphorus Oxides as Energy and Information Materials
Author(s) -
Luo Wei,
Xiang Hongjun
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201602295
Subject(s) - phosphorene , black phosphorus , polarization (electrochemistry) , oxygen , adsorption , materials science , band gap , phosphorus , perpendicular , ferroelectricity , crystallography , chemical physics , optoelectronics , chemistry , geometry , mathematics , organic chemistry , dielectric , metallurgy
Phosphorene is a rising star in electronics. Recently, 2D phosphorus oxides with higher stability have been synthesized. In this study, we theoretically explored the structures and properties of 2D phosphorus oxides. We found that the structural features of P x O y vary with the oxygen content. When the oxygen content is low, the most stable P x O y material can be obtained by the adsorption of O atoms on phosphorene. Otherwise, stable structures are no longer based on phosphorene and will contain P–O–P motifs. We found that P 4 O 4 has a direct band gap (about 2.24 eV), good optical absorption, and high stability in water, so it may be suitable for photochemical water splitting. P 2 O 3 adopts two possible stable ferroelectric structures (P 2 O 3 ‐I and P 2 O 3 ‐II) with electric polarization perpendicular and parallel to the lateral plane, respectively, as the lowest‐energy configurations, depending on the layer thickness. We propose that P 2 O 3 could be used in novel nanoscale multiple‐state memory devices.