Boron Nitride Monolayer: A Strain-Tunable Nanosensor
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction...
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| Veröffentlicht in: | Journal of physical chemistry. C 2013-06, Vol.117 (25), p.13261-13267 |
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| container_title | Journal of physical chemistry. C |
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| creator | Neek-Amal, M Beheshtian, J Sadeghi, A Michel, K. H Peeters, F. M |
| description | The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet. |
| doi_str_mv | 10.1021/jp402122c |
| format | Article |
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| identifier | ISSN: 1932-7447 |
| ispartof | Journal of physical chemistry. C, 2013-06, Vol.117 (25), p.13261-13267 |
| issn | 1932-7447 1932-7455 |
| language | eng |
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| source | American Chemical Society Journals |
| subjects | Condensed matter: electronic structure, electrical, magnetic, and optical properties Cross-disciplinary physics: materials science rheology Electron states Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology Fullerenes and related materials diamonds, graphite Materials science Methods of electronic structure calculations Physics Specific materials |
| title | Boron Nitride Monolayer: A Strain-Tunable Nanosensor |
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