Influence of confinement and surface functionalization effects on fluorescent properties of the impurity–vacancy complexes in ultrasmall nanodiamonds

Ekimov, Evgeny A.; Kondrin, M. V.

doi:10.1016/j.physb.2022.414369

Cited by 2 publications

(2 citation statements)

References 36 publications

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“…In each figure, the first plot is the pure diamond for comparison. Because of quantum confinement effects, the band gap for the pure 1.4 nm diameter diamond is larger than the 5.5 eV bulk at ∼6.4 eV. , For hydrogen-terminated carbon clusters, quantum confinement is mostly mediated by the valence band. ,− Although additional virtual orbitals arising from surface hydrogens exist, they do not mix with localized defect states. , …”

Section: Results and Discussionmentioning

confidence: 99%

“…15,83−85 Although additional virtual orbitals arising from surface hydrogens exist, they do not mix with localized defect states. 84,86 Figure 9 contains the DOS for the X i systems, which are the most stable configuration for all noble gas species except Xe. Although He and Ne color centers have been observed experimentally 13,28 in bulk diamond, we did not observe any midgap states for the He i or Ne i configuration of the diamonds, which agrees with previous reports.…”

Section: Electronic Structurementioning

confidence: 99%

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Electronic Structures and Spectroscopic Signatures of Noble-Gas-Doped Nanodiamonds

et al. 2023

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Fluorescent nanodiamonds, that is, those containing optically active defects, have attracted interest for their ability to be used as qubits; for in vivo imaging; and as sensors for spin, stress, and temperature. One of the most commonly studied nanodiamond color centers is the nitrogen vacancy. However, there is strong interest in discovering other impurity centers that provide localized midband gap transitions. Noble gas atoms have garnered attention since they have been discovered within nanodiamonds produced through high-pressure–high-temperature laser-heated diamond anvil cell synthesis methods, where they are commonly used as hydrostatic pressure media. Noble gas atoms that exist in macrosized natural or synthetic diamonds have been shown to be able to form color centers. This research uses ab initio density functional theory and cluster models to systematically study the localized electronic structure for group VIII impurities of nanodiamond, including helium, neon, argon, krypton, and xenon. An in-depth examination of the interaction between the noble gas atom and diamond lattice has been carried out. The changes to the vibrational and UV/vis absorption spectra have been analyzed. It was determined that the energetically preferred geometry is dependent on the atom size. Most noble gas defects are stabilized within the nanodiamond lattice and exist in tetrahedral interstitial positions, except for the largest noble gas studied in this work, Xe, which was determined to prefer a substitutional configuration. Both Kr and Xe are expected to be able to manifest visible/near-IR optical responses when included in the diamond lattice.

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Section: Results and Discussionmentioning

confidence: 99%

Section: Electronic Structurementioning

confidence: 99%

Electronic Structures and Spectroscopic Signatures of Noble-Gas-Doped Nanodiamonds

et al. 2023

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Salt-coated air oxidation nanodiamond surface purification with a photoluminescence spectroscopy quality control

Savinov,

Kolomiets,

et al. 2024

Nanotechnology

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Emerging fields of quantum technologies and biomedical applications demand pure nanodiamonds (NDs) with well-defined surface chemistry. Therefore, an inexpensive, scalable and eco-friendly ND surface purification technology is required. In this study, we report our method, salt-coated air oxidation (SCAO) thermal annealing, to achieve uniform purification of a ND surface without the loss of diamond material. A photoluminescence (PL) spectroscopy quality control method is proposed to evaluate the degree of purification. The presence of an isoemission point in the set of nitrogen vacancy (NV) center PL spectra, obtained through the photochromic effect, is examined as a surface purity indicator. The ratio of the NV centers in NDs after the SCAO treatment was determined by decomposing the PL spectra using the non-negative matrix factorization technique.

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Influence of confinement and surface functionalization effects on fluorescent properties of the impurity–vacancy complexes in ultrasmall nanodiamonds

Cited by 2 publications

References 36 publications

Electronic Structures and Spectroscopic Signatures of Noble-Gas-Doped Nanodiamonds

Electronic Structures and Spectroscopic Signatures of Noble-Gas-Doped Nanodiamonds

Salt-coated air oxidation nanodiamond surface purification with a photoluminescence spectroscopy quality control

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