Monolayer Cubic Boron Nitride Terminated Diamond (111) Surfaces for Quantum Sensing and Electron Emission Applications
At a Glance
Section titled āAt a Glanceā| Metadata | Details |
|---|---|
| Publication Date | 2020-06-30 |
| Journal | ACS Applied Materials & Interfaces |
| Authors | Wei Shen, Shengnan Shen, Sheng Liu, Hui Li, Zhiyin Gan |
| Institutions | Huazhong University of Science and Technology, Wuhan University |
| Citations | 20 |
Abstract
Section titled āAbstractāMonolayer cubic boron (B) nitride (N) terminated diamond (111) surfaces are proposed and investigated using density functional theory. The carbon (C)-N-B-terminated diamond (111) surface with a monolayer coverage of hydrogen and the C-N-B-terminated diamond (111) surface with a monolayer coverage of fluorine [named C-N-B-F-terminated (111) surface] have positive electron affinities (PEAs) with no inter-band gap states and nearly perfect alignment of nitrogen vacancy (NV). Thus, they could potentially be applied in NV-based quantum sensors. The C-B-N-terminated diamond (111) surface with a monolayer coverage of hydrogen [named C-B-N-H-terminated (111) surface], which has negative EAs (NEAs) and an adsorption energy of -3.51 eV, could potentially be employed in electron emission devices. Specifically, C-N-B-F- and C-B-N-H-terminated diamond (111) surfaces have the largest PEA (4.48 eV) and NEA (-4.00 eV), respectively, of any reported diamond surfaces. We also propose a formalism to construct multiple dipole structures on diamond surfaces to yield extremely large EAs.