Band Gap Opening of Graphene by Forming Heterojunctions with the 2D Carbonitrides Nitrogenated Holey Graphene, g-C3N4, and g-CN: Electric Field Effect
| Autor: | Hongxia Zhong, Xin-he Jiang, Yi-min Ding, Min Zhang, Jun-jie Shi, Xiong Cao, Pu Huang, Meng Wu |
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| Rok vydání: | 2016 |
| Předmět: |
Materials science
Condensed matter physics Band gap Graphene Nanotechnology Heterojunction 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention General Energy Effective mass (solid-state physics) law 0103 physical sciences Monolayer Direct and indirect band gaps Physical and Theoretical Chemistry 010306 general physics 0210 nano-technology Bilayer graphene Graphene nanoribbons |
| Zdroj: | The Journal of Physical Chemistry C. 120:11299-11305 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.6b03308 |
| Popis: | To solve a challenging issue, i.e., the gap opening of graphene, we designed several heterojunctions of graphene and other two-dimensional carbonitride materials with natural holes in their monolayers, namely, nitrogenated holey graphene (NHG), g-C3N4, and g-CN, to destroy graphene’s sublattice symmetry and we investigated their electronic structures by first-principles calculations, in which the external electric field effect was also considered. We found that the heterojunctions, except for that with g-CN, have a direct band gap and that their important band edge states are dominated mainly by their graphene layer. The electric field can open band gaps and reduce the effective mass of electron and hole. The graphene/NHG has a large band gap (186.6 meV) and electron effective mass, which can be reduced from 1.31 to 0.014 m0 by applying an electric field of 0.4 V/A. The NHG/graphene/NHG has the largest band gap of 250.7 meV among all of the graphene-based heterojunctions. The band gap of g-C3N4/graphene/g... |
| Databáze: | OpenAIRE |
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