Data for "The chemistry of Cu3N and Cu3PdN nanocrystals"
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Data underlying the figures in the publication "<strong>The chemistry of Cu<sub>3</sub>N and Cu<sub>3</sub>PdN nanocrystals</strong>" Table of contents: The <em>.pxp</em> documents contain the experimental data of the figures in the manuscript and they can be opened/edited with the software IGOR Pro 8.0 or higher. <strong>Figure 2.pxp. </strong>TEM images of (A) Cu<sub>3</sub>N and (B) Cu<sub>3</sub>PdN. The histograms are shown as an inset. The cube edge length is used as a measure for size. (C) DLS and (D) powder XRD measurements. <strong>Figure 3.pxp.</strong> <sup>1</sup>H NMR spectra of aliquots after degassing, at 190°C after the color change, 220°C, 240°C, 260°C and at the end of the reaction. Aldimine formation is observed starting from the color change. The aldimine reference is shown for comparison. <strong>Figure 4.pxp. </strong>XRD spectra of the syntheses with different amines. The reference of bulk Cu<sub>3</sub>N (blue) and bulk Cu<sub>2</sub>O (green) are shown. <strong>Figure 5.pxp.</strong> XPS core level spectra of Cu<sub>3</sub>N and Cu<sub>3</sub>PdN, including (A) Cu 2<em>p</em><sub>3/2</sub>, (B) Pd 3<em>d</em>, (C) N 1<em>s,</em> and (D) O 1<em>s</em> <strong>Figure 6.pxp. </strong>Nuclear magnetic resonance spectroscopy of the purified Cu<sub>3</sub>N and Cu<sub>3</sub>PdN NCs. (A) <sup>1</sup>H-NMR of the NCs indicating the presence of oleyl chain. (B) Diffusion ordered NMR spectroscopy of the Cu<sub>3</sub>PdN NCs showing a slow and a fast diffusing species. <strong>Figure 7.pxp. </strong>(A) Valence region of Cu<sub>3</sub>N and Cu<sub>3</sub>PdN, including XPS valence spectra and the broadened and cross section weighted sum of the projected density of states (PDOS) from density functional theory (DFT). The position of the valence band maximum (VBM) of Cu<sub>3</sub>N and the position of the Fermi energy (E<sub>F</sub>) are also shown. (B)-(C) UV-Vis absorption spectra of Cu<sub>3</sub>N in cyclohexane and Cu<sub>3</sub>PdN in tetrachloroethylene with their corresponding Tauc plots as an inset, respectively. Indirect bandgaps were determined from linear fitting to the low energy region of the Tauc plots (shown in dotted green line).
