A computational study of nanodiamond surface radicals and nitrogen-vacancy charge fluctuations

Meara, Claire J.; Rayson, Mark; Briddon, P.R.; Goss, Jonathan P.

doi:10.1016/j.jpcs.2020.109637

Cited by 6 publications

(6 citation statements)

References 47 publications

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“…32 Further modelling on oxygen-terminated NDs would be helpful to understand if only band bending is involved, or the phenomenon we report requires more complex models to be properly understood. 55,56…”

Section: Discussionmentioning

confidence: 99%

High-throughput nitrogen-vacancy center imaging for nanodiamond photophysical characterization and pH nanosensing

et al. 2020

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Section: Discussionmentioning

confidence: 99%

High-throughput nitrogen-vacancy center imaging for nanodiamond photophysical characterization and pH nanosensing

et al. 2020

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“…Oxygen terminations can reduce surface electrical conductivity 23 , increase capacitance 25 , and impact the electron-transfer kinetics of innersphere electrochemical reactions on BDD electrodes 8 . Oxygen terminations also increase the density of negatively-charged nitrogen-vacancy centers near the surface 26,27 (that can arise from impurities in the CVD process 4,19 ), which have applications in photonics, quantum optics 28 , and quantum computing [29][30][31] . A detailed atomic-scale understanding of the surface termination and elementary surface composition of (110)-oriented diamond is therefore of vital importance.…”

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confidence: 99%

Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces

et al. 2022

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Diamond-based materials have unique properties that are exploited in many electrochemical, optical, thermal, and quantum applications. When grown via chemical vapor deposition (CVD), the growth rate of the (110) face is typically much faster than the other two dominant crystallographic orientations, (111) and (100). As such, achieving sufficiently large-area and high-quality (110)-oriented crystals is challenging and typically requires post-growth processing of the surface. Whilst CVD growth confers hydrogen terminations on the diamond surface, the majority of post-growth processing procedures render the surface oxygen-terminated, which in turn impacts the surface properties of the material. Here, we determine the oxygenation state of the (110) surface using a combination of density functional theory calculations and X-ray photoelectron spectroscopy experiments. We show that in the 0–1000 K temperature range, the phase diagram of the (110) surface is dominated by a highly stable phase of coexisting and adjacent carbonyl and ether groups, while the stability of peroxide groups increases at low temperatures and high pressures. We propose a mechanism for the formation of the hybrid carbonyl-ether phase and rationalize its high stability. We further corroborate our findings by comparing simulated core-level binding energies with experimental X-ray photoelectron spectroscopy data on the highest-quality (110)-oriented diamond crystal surface reported to date.

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“…Diamonds are an ideal system for scalable quantum technology, and are also mechanically hard, chemically inert, and optically transparent. , Nitrogen-vacancy (NV) and silicon-vacancy (SiV) centers in diamonds, where a substitutional dopant sits adjacent to a lattice vacancy with a trapped electron, can be engineered as single photon emitters (SPE) for use in applications in quantum communication and bioimaging . In particular, NV color centers are room temperature SPEs with a coherence time of longer than one second and are thus promising for quantum information technologies. − However, the properties of NV centers in diamonds can be impacted by characteristics such as charge state and nanodiamond surface, and it is therefore crucial to develop a more complete atomistic understanding of the system …”

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confidence: 99%

“… 3 In particular, NV color centers are room temperature SPEs with a coherence time of longer than one second and are thus promising for quantum information technologies. 4 − 7 However, the properties of NV centers in diamonds can be impacted by characteristics such as charge state and nanodiamond surface, 8 and it is therefore crucial to develop a more complete atomistic understanding of the system. 9 …”

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confidence: 99%

Atomically Precise Detection and Manipulation of Nitrogen-Vacancy Centers in Nanodiamonds

Hudak

Stroud

2023

ACS Nano

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Nitrogen-vacancy (NV) centers in nanodiamonds are a promising quantum communication system offering robust and discrete single photon emission, but a more thorough understanding of properties of the NV centers is critical for real world implementation in functional devices. The first step to understanding how factors such as surface, depth, and charge state affect NV center properties is to directly characterize these defects on the atomic scale. Here we use Angstrom-resolution scanning transmission electron microscopy (STEM) to identify a single NV center in a ∼4 nm natural nanodiamond through simultaneous acquisition of electron energy loss and energy dispersive X-ray spectra, which provide a characteristic NV center peak and a nitrogen peak, respectively. In addition, we identify NV centers in larger, ∼15 nm synthetic nanodiamonds, although without the single-defect resolution afforded by the lower background of the smaller natural nanodiamonds. We have further demonstrated the potential to directly position these technologically relevant defects at the atomic scale using the scanning electron beam to “herd” NV centers and nitrogen atoms across their host nanodiamonds.

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A computational study of nanodiamond surface radicals and nitrogen-vacancy charge fluctuations

Cited by 6 publications

References 47 publications

High-throughput nitrogen-vacancy center imaging for nanodiamond photophysical characterization and pH nanosensing

High-throughput nitrogen-vacancy center imaging for nanodiamond photophysical characterization and pH nanosensing

Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces

Atomically Precise Detection and Manipulation of Nitrogen-Vacancy Centers in Nanodiamonds

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