Influence of (N,H)-terminated surfaces on stability, hyperfine structure, and zero-field splitting of NV centers in diamond

Efficient n-Type Surface Doping in Diamond

“…The lattice constant of bulk diamond is calculated to be 3.574 Å, which is similar to the experimental value of 3.567 Å and other theoretical data of 3.572 Å . According to the previous studies on the N-terminated diamond surface, , the diamond (111) surface is cleaved from the bulk, and the surface atoms are functionalized with N atoms. The structural model is shown in Figure a, and the bond length of C–N is 1.544 Å.…”

“…Consequently, we choose the diamond surface with a positive electron affinity (PEA) and a molecule with low ionization energy (IE). The N-terminated diamond surface exhibits a PEA of 3.5 eV . Meanwhile, surface states associated with N termination for the N-terminated diamond surface show minimal intrusion into the bulk bandgap, , which is different from the deep-surface-related image states for the H-terminated diamond surface.…”

Diamond surface engineering for molecular sensing with nitrogen—vacancy centers

“…Crucially, the band bending (and resulting electron affinity) at the surface depends sensitively on the bonding nature of the nitrogen atoms. 277–279 In addition, termination with nitrogen has additional side benefits, including reduced electron-spin noise as well as the potential to create well-defined arrays of nitrogen nuclear spins ( I = 1 or I = 1/2 for 14 N and 15 N, respectively) that can be probed with NVs. 211…”

“…Crucially, the band bending (and resulting electron affinity) at the surface depends sensitively on the bonding nature of the nitrogen atoms. [277][278][279] In addition, termination with nitrogen has additional side benefits, including reduced electron-spin noise as well as the potential to create well-defined arrays of nitrogen nuclear spins (I = 1 or I = 1/2 for 14 N and 15 N, respectively) that can be probed with NVs. 211 Theoretical results from Stacey et al showed that (2 Â 1)reconstructed (100) surfaces that are fully terminated with nitrogen exhibit a PEA of w = 3.46 eV, while (2 Â 2)reconstructed surfaces with 50/50 N/H termination exhibit a PEA of only w = 0.32 eV (Fig.…”

Single-Nitrogen–Vacancy NMR of Amine-Functionalized Diamond Surfaces

“…Functionalization of the diamond surface is possible using a variety of chemical approaches, − but such modifications can be detrimental to near-surface NVs. Charge state conversion from the useful negatively charged state to the neutral state due to surface charge traps or band bending renders the defect ineffective for magnetic sensing. − Moreover, detection sensitivity is worsened in shallow NVs from surface noise. − Promising chemical approaches to minimize surface noise and charge-state instability include fluorination, nitrogen termination, − or oxygen termination. − On widely used oxygen-terminated diamond, carboxyl groups enable attachment of molecules of interest using carbodiimide cross-linker chemistry. , However, surface passivation and density of adsorbed analytes are difficult to control when limited solely by the native surface concentration of residual chemically addressable moieties. Furthermore, coverage of carboxyl groups is typically low on oxidized surfaces, and various oxidation protocols yield different compositions depending on surface roughness and crystallographic orientation. ,, …”