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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Highly selective electrocatalytic CO 2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper

Direct electrochemical conversion of CO 2 to ethanol offers a promising strategy of lowering CO 2 emission while storing energy from renewable electricity. However, current electrocatalysts offer only limited selectivity toward ethanol. Here we report a copper catalyst synthesized by a unique Cu-Li amalgm method over a commercial carbon support that achieved Faradaic efficiency (FE) higher than 91% at -0.7 V (RHE) and the active potential as low as -0.4 V (RHE) during direct electrocatalytic CO 2 -to-ethanol conversion. The catalyst also demonstrated stability over an extended period of operation. A strong correlation between the catalytic selectivity and the initial Cu atoms dispersion was found and Operando X-ray absorption spectroscopy identified a dynamic and reversible transformation from atomically dispersed copper atoms to Cu n (n = 3 and 4) under the electrochemical reaction. Frist-principles calculations further elucidate the possible catalytic mechanism of CO 2 reduction over Cu n .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on LiCu3 by Materials Project

LiCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Cu atoms to form LiCu12 cuboctahedra that share corners with four equivalent LiCu12 cuboctahedra, edges with eight equivalent LiCu12 cuboctahedra, edges with sixteen equivalent CuLi4Cu8 cuboctahedra, faces with four equivalent LiCu12 cuboctahedra, and faces with eight equivalent CuLi4Cu8 cuboctahedra. There are four shorter (2.53 Å) and eight longer (2.57 Å) Li–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Li and eight Cu atoms to form distorted CuLi4Cu8 cuboctahedra that share corners with twelve equivalent CuLi4Cu8 cuboctahedra, edges with eight equivalent LiCu12 cuboctahedra, edges with eight equivalent CuLi4Cu8 cuboctahedra, faces with four equivalent LiCu12 cuboctahedra, and faces with ten equivalent CuLi4Cu8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.57 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Cu by Materials Project

Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCu3 by Materials Project

LiCu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Cu atoms to form a mixture of corner and face-sharing LiCu12 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.57 Å) Li–Cu bond lengths. Cu is bonded in a distorted see-saw-like geometry to four equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCu3 by Materials Project

LiCu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing LiCu12 cuboctahedra. All Li–Cu bond lengths are 2.55 Å. Cu is bonded in a distorted square co-planar geometry to four equivalent Li atoms.

36 MATERIALS SCIENCE↗