Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “C3N”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two C3N sheets oriented in the (0, 1, 0) direction. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to two equivalent C1+ atoms. Both C–C bond lengths are 1.31 Å. In the second C1+ site, C1+ is bonded in a distorted L-shaped geometry to one C1+ and two equivalent N3- atoms. Both C–N bond lengths are 1.59 Å. N3- is bonded in a square co-planar geometry to four equivalent C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one C3N ribbon oriented in the (0, 0, 1) direction. C1+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.83 Å. N3- is bonded in a 6-coordinate geometry to six equivalent C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaBH34(C3N)4 by Materials Project

NaBH34(C3N)4 is alpha-like structured and crystallizes in the hexagonal P6_3 space group. The structure is zero-dimensional and consists of two NaBH34(C3N)4 clusters. Na1+ is bonded in a 7-coordinate geometry to four N3- and three equivalent H1+ atoms. There are three shorter (2.62 Å) and one longer (2.66 Å) Na–N bond lengths. All Na–H bond lengths are 2.52 Å. B3+ is bonded in a tetrahedral geometry to four H1+ atoms. There is one shorter (1.23 Å) and three longer (1.24 Å) B–H bond length. There are four inequivalent C+2.17- sites. In the first C+2.17- site, C+2.17- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.47 Å. There is two shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. In the second C+2.17- site, C+2.17- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.47 Å. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. In the third C+2.17- site, C+2.17- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.47 Å. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. In the fourth C+2.17- site, C+2.17- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is two shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one Na1+ and three C+2.17- atoms to form distorted corner-sharing NNaC3 tetrahedra. In the second N3- site, N3- is bonded to one Na1+ and three equivalent C+2.17- atoms to form distorted corner-sharing NNaC3 tetrahedra. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one B3+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.17- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N is alpha-like structured and crystallizes in the cubic P2_13 space group. The structure is zero-dimensional and consists of four trimethylamine molecules. C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.39 Å. N3- is bonded in a trigonal planar geometry to three equivalent C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.66 Å. N3- is bonded to six equivalent C1+ atoms to form corner-sharing NC6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four methane molecules and one C2N framework. In the C2N framework, C1+ is bonded to four equivalent N3- atoms to form a mixture of corner and edge-sharing CN4 tetrahedra. All C–N bond lengths are 2.07 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. C1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All C–N bond lengths are 2.20 Å. N3- is bonded to twelve equivalent C1+ atoms to form a mixture of corner and face-sharing NC12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two ethyne molecules and two CN ribbons oriented in the (0, 0, 1) direction. In each CN ribbon, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.20 Å. N3- is bonded in a linear geometry to two equivalent C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N is Hg_xSn structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trimethylamine molecules. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.43 Å. N3- is bonded in a distorted T-shaped geometry to three C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of two methane molecules and one C2N framework. In the C2N framework, there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.24 Å) and one longer (1.83 Å) C–N bond length. In the second C1+ site, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.69 Å. In the third C1+ site, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.69 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent C1+ atoms. In the second N3- site, N3- is bonded to six C1+ atoms to form corner-sharing NC6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of eight methane molecules and two CN sheets oriented in the (0, 0, 1) direction. In each CN sheet, C1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All C–N bond lengths are 1.40 Å. N3- is bonded in a trigonal planar geometry to three equivalent C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3N by Materials Project

C3N is BCT5 structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ethanamine, n-methylene- molecules. there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one C1+ atom. The C–C bond length is 1.35 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one N3- atom. The C–N bond length is 1.22 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. N3- is bonded in a bent 150 degrees geometry to two C1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Orbital engineering of C 3 N monolayer to design efficient synergistic sites electrocatalyst for boosting alkaline hydrogen evolution

Alkaline water electrolyzer (AWE) is one of the promising technologies for hydrogen production at the industrial level. However, energetic inefficiency and low current density impede the development of AWE. Compared with acidic conditions, the Volmer step in alkaline hydrogen evolution reaction (HER) involves extra water dissociation, whose barrier is one of the most vital reasons for the sluggish kinetics of alkaline HER. Herein, choosing C 3 N monolayer as an ideal theoretical model, we design several empty orbitals through intentional metal doping, and further construct synergistic sites on the C 3 N monolayer to accelerate both water dissociation and hydrogen adsorption for alkaline HER. Furthermore, the as-designed Be-doped and Cr-doped C 3 N monolayers exhibit rather low theoretical overpotential of 0.476 eV and 0.216 eV for alkaline HER, respectively, which are even lower than Pt (1 1 1) surface. Moreover, by comparing the water dissociation behaviors on metal-doped C3N monolayer, we find that the empty orbitals with suitable orientation and energy level are useful for promoting the water dissociation process, indicating that we can use orbital engineering strategy to regulate the adsorption strength between adsorbate and surface site. Consequently, it is reasonable to suggest that our orbital engineering strategy would significantly benefit the design of highly efficient alkaline HER electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗