Counting vacancies and nitrogen-vacancy centers in detonation nanodiamond† †Electronic supplementary information (ESI) available: (1) DND synthesis; (2) HRTEM and EELS characterization methods; (3) EELS simulation method; (4) supporting figures of EELS simulations; (5) soft-X-ray K-edge spectra of the DND; and (6) ab initio N-V center modeling method. See DOI: 10.1039/C6NR01888B Click here for additional data file.
نویسندگان
چکیده
Detonation nanodiamond particles (DND) contain highly-stable nitrogen-vacancy (N-V) centers, making it important for quantum-optical and biotechnology applications. However, due to the small particle size, the N-V concentrations are believed to be intrinsically very low, spawning efforts to understand the formation of N-V centers and vacancies, and increase their concentration. Here we show that vacancies in DND can be detected and quantified using simulation-aided electron energy loss spectroscopy. Despite the small particle size, we find that vacancies exist at concentrations of about 1 at%. Based on this experimental finding, we use ab initio calculations to predict that about one fifth of vacancies in DND form N-V centers. The ability to directly detect and quantify vacancies in DND, and predict the corresponding N-V formation probability, has a significant impact to those emerging technologies where higher concentrations and better dispersion of N-V centres are critically required.
منابع مشابه
Macrocycle-assisted synthesis of non-stoichiometric silver(i) halide electrocatalysts for efficient chlorine evolution reaction† †Electronic supplementary information (ESI) available: Supporting figures, high-resolution ESI-MS, TEM images, CV plots and NMR, FT-IR, UV-vis, XPS and AES spectra. Refinement details and crystal data for 1–3 are also available. CCDC 1527294–1527296. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00575j Click here for additional data file. Click here for additional data file.
متن کامل
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles† †Electronic supplementary information (ESI) available: Characterization data, crystallographic data and Cartesian coordinates of DFT optimized structures. CCDC 1432815(4), 1432814 (5), 1528506 (6), 1432817 (8), 1528508 (10) and 1528507 (10′). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00300e Click here for additional data file. Click here for additional data file.
1. General Information ............................................................................................................................. 1 2. Synthesis and Characterization data ................................................................................................... 2 3. X-ray data ..............................................................................................
متن کاملOptimizing side chains for crystal growth from water: a case study of aromatic amide foldamers† †Electronic supplementary information (ESI) available: Experimental protocols for synthesis; characterization of new compounds; methods for X-ray crystallography; solubility studies. CCDC 1521878, 1525865, 1525770 and 1523119. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00430c Click here for additional data file. Click here for additional data file.
متن کامل
Hydroxide-bridged five-coordinate DyIII single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers† †Electronic supplementary information (ESI) available: Synthetic procedures, structure, magnetism, ab initio calculation, magnetic interaction analysis, Fig. S1–S50, Table S1–S10, the crystal information files of compounds 1, 2 and 4. CCDC 1418657 for 1, 1418658 for 2 and 1506174 for 4. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc03621j Click here for additional data file. Click here for additional data file.
Beijing National Laboratory of Molecular Sc Engineering, State Key Laboratory of Applications, Peking University, Beijing, 100 edu.cn; [email protected]; Web: http://w 6275-1708 Jiangsu Key Laboratory for NSLSCS, Scho Nanjing Normal University, Nanjing 210023 Department of Chemistry, Key Laboratory (MOE), State Key Laboratory of Elem Innovation Center of Chemical Science University, Tianjin 30...
متن کاملHighly selective acylation of polyamines and aminoglycosides by 5-acyl-5-phenyl-1,5-dihydro-4H-pyrazol-4-ones† †Electronic supplementary information (ESI) available: Experimental procedures, kinetic data, UV/Vis spectra, NMR spectra, and HPLC traces. X-ray data for 44. CCDC 1563600. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc03184j Click here for additional data file. Click here for additional data file.
متن کامل