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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnC2(SN)2 by Materials Project

Zn(SCN)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Zn(SCN)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There is three shorter (1.97 Å) and one longer (1.98 Å) Zn–N bond length. In the second Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) Zn–S bond lengths. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the fourth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Zn2+ and one C4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Zn2+ and one C4+ atom. In the third S2- site, S2- is bonded in a distorted water-like geometry to one Zn2+ and one C4+ atom. In the fourth S2- site, S2- is bonded in an L-shaped geometry to one Zn2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnC2(Br2N3)2 by Materials Project

Zn(CN3)2(Br)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four diaziridinimine molecules, eight hydrobromic acid molecules, and two zinc dust molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnC2(N2O)4 by Materials Project

Zn(N2)4(CO2)2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, eight nitrogen molecules, and two zinc molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on ZnC2(Br2N3)2 by Materials Project

Zn(CN3Br)2(Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, four CN3Br clusters, and two zinc molecules. In each CN3Br cluster, C4+ is bonded in a 1-coordinate geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.26–1.41 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. The N–N bond length is 1.29 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one Br2+ atom. The N–Br bond length is 1.97 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. Br2+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on ZnC2 by Materials Project

ZnCC is Copper structured and crystallizes in the cubic Pn-3m space group. The structure is zero-dimensional and consists of four dimethylzinc molecules. Zn2+ is bonded in a linear geometry to two equivalent C1- atoms. Both Zn–C bond lengths are 1.87 Å. C1- is bonded in a distorted single-bond geometry to one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Breakthrough Zn(II) Catalyst for Direct Air Capture Employing CO 2 Hydration

Direct air capture (DAC) represents a vital technology for atmospheric CO₂ remediation, but few studies have tested catalysts at dilute atmospheric CO₂ concentrations. Inspired by the carbonic anhydrase metalloenzyme, we report a catalytic DAC strategy employing robust zinc(II) enzyme mimics that enable efficient CO₂ sequestration pathways. A catalyst-mediated CO₂ hydration cycle in aqueous sorbents facilitates accelerated capture from dilute atmospheric air, thereby addressing the kinetic limitations observed in carbonate-based systems. Our developed complexes [ZnC1] and [ZnC2] enhance capture rates up to two-fold at millimolar concentrations and improve CO₂ mass transfer by 40-60% in 1 M K₂CO₃ sorbent under ambient conditions. These bench-stable, earth-abundant zinc catalysts operate effectively under dilute CO₂ concentrations, overcoming the kinetic limitations of conventional carbonate-based sorbents. As a result, mechanistic studies support a biomimetic catalytic cycle that facilitates rapid CO₂ conversion, demonstrating that catalyst-assisted DAC can enable energy-efficient, scalable carbon capture technologies.

Atmospheric chemistry↗