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      Strain-enhanced properties of van der Waals heterostructure based on blue phosphorus and g-GaN as a visible-light-driven photocatalyst for water splitting

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      RSC Advances
      The Royal Society of Chemistry

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          Abstract

          Many strategies have been developed to overcome the critical obstacles of fast recombination of photogenerated charges and the limited ability of semiconductor photocatalysts to absorb visible light. Considering all the novel properties of monolayered g-GaN and blue phosphorus (BlueP) which were revealed in recent studies, first-principles calculations were used to systematically investigate the structural stability, electronic energy, band alignment, band bending, and charge difference in the heterostructure formed by these two layered materials. The g-GaN/BlueP heterostructure is constructed by van der Waals (vdW) forces, and it possess a staggered band structure which induces electron transformation because of the different Fermi levels of the two layered materials. By aligning the Fermi levels, an interfacial electric field is built and it causes band bending, which can promote effective separation of photoexcited holes and electrons; the band-bending phenomenon was also calculated according to density functional theory (DFT). Moreover, effects of in-plane strain on the tuned bandgap, energy, and band edge were investigated, and the results show that the optical-absorption performance in the visible-light range can be improved. The findings reported in this paper are expected to provide theoretical support for the use of the g-GaN/BlueP vdW heterostructure as a photocatalyst for water splitting.

          Abstract

          Many strategies have been developed to overcome the critical obstacles of fast recombination of photogenerated charges and the limited ability of semiconductor photocatalysts to absorb visible light.

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          What is what in the Nanoworld: A Handbook on Nanoscience and Nanotechnology

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            Nanoscience and Technology

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              Author and article information

              Journal
              RSC Adv
              RSC Adv
              RA
              RSCACL
              RSC Advances
              The Royal Society of Chemistry
              2046-2069
              6 February 2019
              5 February 2019
              6 February 2019
              : 9
              : 9
              : 4816-4823
              Affiliations
              [a] School of Mechanical Engineering, Southeast University Nanjing Jiangsu 211189 China 101000185@ 123456seu.edu.cn
              [b] College of Science, Jinling Institute of Technology Nanjing Jiangsu 211169 China
              [c] School of Materials Science and Engineering, Southeast University Nanjing Jiangsu 211189 China
              [d] Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia
              Author information
              https://orcid.org/0000-0002-0862-5633
              https://orcid.org/0000-0002-1004-4109
              https://orcid.org/0000-0002-2548-1758
              https://orcid.org/0000-0001-5105-0065
              https://orcid.org/0000-0002-5113-5533
              Article
              c8ra09378d
              10.1039/c8ra09378d
              9060583
              35514618
              cbe40597-cc24-4db7-a5f3-b45f0e21ee80
              This journal is © The Royal Society of Chemistry
              History
              : 14 November 2018
              : 12 December 2018
              Page count
              Pages: 8
              Funding
              Funded by: National Natural Science Foundation of China, doi 10.13039/501100001809;
              Award ID: 51675100
              Funded by: Southeast University, doi 10.13039/501100008081;
              Award ID: 3202008708
              Categories
              Chemistry
              Custom metadata
              Paginated Article

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