Completely flat two-dimensional Zn<sub>3</sub>O<sub>2</sub> monolayer with triangle and pentangle coordinated networks.
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| Abstract |    :  
                  Two-dimensional (2D) materials with strictly planar hyper-coordinated motifs are of great importance in fundamental science and potential applications but extremely rare. Here we theoretically design a novel 2D IIB-VIA inorganic system, namely Zn3O2 monolayer, by comprehensive first-principles computations. This Zn3O2 monolayer is composed from highly symmetrical tri-coordinated oxygen and tetra-coordinated zinc, featuring planar and peculiar triangle and pentangle combined bonded network. The newly predicted Zn3O2 monolayer possesses excellent dynamic and thermal stabilities and is also the lowest-energy structure of its 2D space indicated by particle swarm search, supporting its experimentally synthetic viability. A relatively wide band gap of 4.46 eV endows it potential applications in electronics and optoelectronics. The present findings provide a new field of hyper-coordinated 2D nanomaterials for study.  | 
        
| Year of Publication |    :  
                  2018 
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| Journal |    :  
                  Journal of physics. Condensed matter : an Institute of Physics journal 
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| Date Published |    :  
                  2018 
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| ISSN Number |    :  
                  0953-8984 
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| URL |    :  
                  https://doi.org/10.1088/1361-648X/aaa8c8 
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| DOI |    :  
                  10.1088/1361-648X/aaa8c8 
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| Short Title |    :  
                  J Phys Condens Matter 
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