Sensing Electrochemical Signals Using a Nitrogen-Vacancy Center in Diamond.

Chemical sensors with high sensitivity that can be used under extreme conditions and can be miniaturized are of high interest in science and industry. The nitrogen-vacancy (NV) center in diamond is an ideal candidate as a nanosensor due to the long coherence time of its electron spin and its optical accessibility. In this theoretical work, we propose the use of an NV center to detect electrochemical signals emerging from an electrolyte solution, thus obtaining a concentration sensor. For this purpose, we propose the use of the inhomogeneous dephasing rate of the electron spin of the NV center (1/T2★) as a signal. We show that for a range of mean ionic concentrations in the bulk of the electrolyte solution, the electric field fluctuations produced by the diffusional fluctuations in the local concentration of ions result in dephasing rates that can be inferred from free induction decay measurements. Moreover, we show that for a range of concentrations, the electric field generated at the position of the NV center can be used to estimate the concentration of ions.

DFT study of anisotropy effects on the electronic properties of diamond nanowires with nitrogen-vacancy center.

In the development of quantum computing and communications, improvements in materials capable of single photon emission are of great importance. Advances in single photon emission have been achieved experimentally by introducing nitrogen-vacancy (N-V) centers on diamond nanostructures. However, theoretical modeling of the anisotropic effects on the electronic properties of these materials is almost nonexistent. In this study, the electronic band structure and density of states of diamond nanowires with N-V defects were analyzed through first principles approach using the density functional theory and the supercell scheme. The nanowires were modeled on two growth directions [001] and [111]. All surface dangling bonds were passivated with hydrogen (H) atoms. The results show that the N-V introduces multiple trap states within the energy band gap of the diamond nanowire. The energy difference between these states is influenced by the growth direction of the nanowires, which could contribute to the emission of photons with different wavelengths. The presence of these trap states could reduce the recombination rate between the conduction and the valence band, thus favoring the single photon emission. Graphical abstract Diamond nanowires with nitrogen-vacancy centerᅟ.