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Two-Dimensional Janus Transition Metal Oxides and Chalcogenides: Multifunctional Properties for Photocatalysts, Electronics, and Energy Conversion
Chen W.2; Hou X.3; Shi X.1; Pan H.2
2018-10-17
Source PublicationACS Applied Materials and Interfaces
ISSN19448252 19448244
Volume10Issue:41Pages:35289-35295
Abstract

The fast development of high-performance devices for diverse applications requires nanoscale materials with multifunctional properties, motivating theoretical exploration into novel two-dimensional (2D) materials. In this work, we propose a new family of 2D nanomaterials, Janus transition metal oxides and chalcogenides MXY (M = Ti, Zr, or Hf; X = S or Se; Y = O or S; X ≠ Y) monolayers, for their versatile applications. We find that the Janus MXY monolayers are semiconductors with a wide range of band gaps ranging from 0.739 to 2.884 eV. We show that TiSO, ZrSO, and HfSO monolayers are promising candidates for photocatalysis because of their suitable band gaps and optimal redox potentials for water splitting, and ZrSeS and HfSeS monolayers are suitable candidates for nanoscale electronics because of their high carrier mobility. We further show that TiSO, ZrSO, and ZrSeO monolayers possess large piezoelectric properties because of the broken inversion symmetry stemmed from the different atomic sizes and electronegativities of the X and Y elements, which are better or comparable to other 2D and bulk piezoelectric materials. Our study demonstrates that the 2D Janus MXYs may find versatile applications into photocatalysts, electronics, sensors, and energy harvesting/conversion.

KeywordElectronics First-principles Calculations Janus Transition Metal Oxides And Chalcogenides Photocatalysts Piezoelectricity
DOI10.1021/acsami.8b13248
URLView the original
Indexed BySCI
Language英语
WOS Research AreaScience & Technology - Other Topics ; Materials Science
WOS SubjectNanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000447954600050
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Cited Times [WOS]:5   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Applied Physics and Materials Engineering
Affiliation1.Southern University of Science and Technology
2.Universidade de Macau
3.South China Normal University
Recommended Citation
GB/T 7714
Chen W.,Hou X.,Shi X.,et al. Two-Dimensional Janus Transition Metal Oxides and Chalcogenides: Multifunctional Properties for Photocatalysts, Electronics, and Energy Conversion[J]. ACS Applied Materials and Interfaces,2018,10(41):35289-35295.
APA Chen W.,Hou X.,Shi X.,&Pan H..(2018).Two-Dimensional Janus Transition Metal Oxides and Chalcogenides: Multifunctional Properties for Photocatalysts, Electronics, and Energy Conversion.ACS Applied Materials and Interfaces,10(41),35289-35295.
MLA Chen W.,et al."Two-Dimensional Janus Transition Metal Oxides and Chalcogenides: Multifunctional Properties for Photocatalysts, Electronics, and Energy Conversion".ACS Applied Materials and Interfaces 10.41(2018):35289-35295.
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