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Materials Data on Cr2N by Materials Project

Cr2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Cr is bonded in a distorted T-shaped geometry to three N atoms. There is one shorter (1.92 Å) and two longer (1.94 Å) Cr–N bond length. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Cr atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N is bonded to six equivalent Cr atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°.

36 MATERIALS SCIENCE↗

Solid-state synthesis of UV-plasmonic Cr2N nanoparticles

Materials that exhibit plasmonic response in the UV region can be advantageous for many applications, such as biological photodegradation, photocatalysis, disinfection, and bioimaging. Transition metal nitrides have recently emerged as chemically and thermally stable alternatives to metal-based plasmonic materials. However, most free-standing nitride nanostructures explored so far have plasmonic responses in the visible and near-IR regions. Herein, we report the synthesis of UV-plasmonic Cr2N nanoparticles using a solid-state nitridation reaction. The nanoparticles had an average diameter of 9 ± 5 nm and a positively charged surface that yields stable colloidal suspension. The particles were composed of a crystalline nitride core and an amorphous oxide/oxynitride shell whose thickness varied between 1 and 7 nm. Calculations performed using the finite element method predicted the localized surface plasmon resonance (LSPR) for these nanoparticles to be in the UV-C region (100–280 nm). While a distinctive LSPR peak could not be observed using absorbance measurements, low-loss electron energy loss spectroscopy showed the presence of surface plasmons between 80 and 250 nm (or ∼5 to 15 eV) and bulk plasmons centered around 50–62 nm (or ∼20 to 25 eV). Plasmonic coupling was also observed between the nanoparticles, resulting in resonances between 250 and 400 nm (or ∼2.5 to 5 eV).

Chemistry↗

Materials Data on Cr3N2 by Materials Project

Cr2NCrN crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Cr2N sheets oriented in the (0, 0, 1) direction and two CrN sheets oriented in the (0, 0, 1) direction. In each Cr2N sheet, Cr2+ is bonded in a 3-coordinate geometry to three equivalent N3- atoms. All Cr–N bond lengths are 2.01 Å. N3- is bonded to six equivalent Cr2+ atoms to form edge-sharing NCr6 octahedra. In each CrN sheet, Cr2+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.77 Å. N3- is bonded in a trigonal planar geometry to three equivalent Cr2+ atoms.

36 MATERIALS SCIENCE↗