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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dual-site catalysts featuring platinum-group-metal atoms on copper shapes boost hydrocarbon formations in electrocatalytic CO2 reduction

Abstract Copper-based catalyst is uniquely positioned to catalyze the hydrocarbon formations through electrochemical CO 2 reduction. The catalyst design freedom is limited for alloying copper with H-affinitive elements represented by platinum group metals because the latter would easily drive the hydrogen evolution reaction to override CO 2 reduction. We report an adept design of anchoring atomically dispersed platinum group metal species on both polycrystalline and shape-controlled Cu catalysts, which now promote targeted CO 2 reduction reaction while frustrating the undesired hydrogen evolution reaction. Notably, alloys with similar metal formulations but comprising small platinum or palladium clusters would fail this objective. With an appreciable amount of CO-Pd 1 moieties on copper surfaces, facile CO * hydrogenation to CHO * or CO-CHO * coupling is now viable as one of the main pathways on Cu(111) or Cu(100) to selectively produce CH 4 or C 2 H 4 through Pd-Cu dual-site pathways. The work broadens copper alloying choices for CO 2 reduction in aqueous phases.

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

Materials Data on CoPd3 by Materials Project

Pd3Co is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded to twelve equivalent Pd atoms to form CoPd12 cuboctahedra that share corners with twelve equivalent CoPd12 cuboctahedra, edges with twenty-four equivalent PdCo4Pd8 cuboctahedra, faces with six equivalent CoPd12 cuboctahedra, and faces with twelve equivalent PdCo4Pd8 cuboctahedra. All Co–Pd bond lengths are 2.74 Å. Pd is bonded to four equivalent Co and eight equivalent Pd atoms to form PdCo4Pd8 cuboctahedra that share corners with twelve equivalent PdCo4Pd8 cuboctahedra, edges with eight equivalent CoPd12 cuboctahedra, edges with sixteen equivalent PdCo4Pd8 cuboctahedra, faces with four equivalent CoPd12 cuboctahedra, and faces with fourteen equivalent PdCo4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2Pd by Materials Project

PdCo2 is beta-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co is bonded to nine equivalent Co and three equivalent Pd atoms to form CoCo9Pd3 cuboctahedra that share corners with three equivalent PdCo6Pd6 cuboctahedra, corners with nine equivalent CoCo9Pd3 cuboctahedra, edges with nine equivalent PdCo6Pd6 cuboctahedra, edges with fifteen equivalent CoCo9Pd3 cuboctahedra, faces with six equivalent PdCo6Pd6 cuboctahedra, and faces with twelve equivalent CoCo9Pd3 cuboctahedra. There are three shorter (2.43 Å) and six longer (2.64 Å) Co–Co bond lengths. All Co–Pd bond lengths are 2.68 Å. Pd is bonded to six equivalent Co and six equivalent Pd atoms to form PdCo6Pd6 cuboctahedra that share corners with six equivalent CoCo9Pd3 cuboctahedra, corners with six equivalent PdCo6Pd6 cuboctahedra, edges with six equivalent PdCo6Pd6 cuboctahedra, edges with eighteen equivalent CoCo9Pd3 cuboctahedra, faces with six equivalent PdCo6Pd6 cuboctahedra, and faces with twelve equivalent CoCo9Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPd3 by Materials Project

Pd3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded to twelve equivalent Pd atoms to form CoPd12 cuboctahedra that share corners with six equivalent CoPd12 cuboctahedra, corners with twelve equivalent PdCo4Pd8 cuboctahedra, edges with eighteen equivalent PdCo4Pd8 cuboctahedra, faces with eight equivalent CoPd12 cuboctahedra, and faces with twelve equivalent PdCo4Pd8 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.75 Å) Co–Pd bond lengths. Pd is bonded to four equivalent Co and eight equivalent Pd atoms to form distorted PdCo4Pd8 cuboctahedra that share corners with four equivalent CoPd12 cuboctahedra, corners with fourteen equivalent PdCo4Pd8 cuboctahedra, edges with six equivalent CoPd12 cuboctahedra, edges with twelve equivalent PdCo4Pd8 cuboctahedra, faces with four equivalent CoPd12 cuboctahedra, and faces with sixteen equivalent PdCo4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.70–2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPd by Materials Project

PdCo crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Co and six equivalent Pd atoms to form distorted CoCo6Pd6 cuboctahedra that share corners with twelve CoCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, edges with twelve equivalent PdCo6Pd6 cuboctahedra, faces with six equivalent CoCo6Pd6 cuboctahedra, and faces with twelve equivalent PdCo6Pd6 cuboctahedra. All Co–Co bond lengths are 2.69 Å. All Co–Pd bond lengths are 2.65 Å. In the second Co site, Co is bonded to six equivalent Co and six Pd atoms to form distorted CoCo6Pd6 cuboctahedra that share corners with five equivalent PdCo6Pd10 cuboctahedra, corners with twelve CoCo6Pd6 cuboctahedra, edges with ten PdCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, faces with six equivalent CoCo6Pd6 cuboctahedra, and faces with fifteen PdCo6Pd6 cuboctahedra. All Co–Co bond lengths are 2.69 Å. All Co–Pd bond lengths are 2.65 Å. In the third Co site, Co is bonded to six equivalent Co and six Pd atoms to form distorted CoCo6Pd6 cuboctahedra that share corners with five equivalent PdCo6Pd10 cuboctahedra, corners with twelve CoCo6Pd6 cuboctahedra, edges with ten PdCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, faces with six equivalent CoCo6Pd6 cuboctahedra, and faces with fifteen PdCo6Pd6 cuboctahedra. All Co–Co bond lengths are 2.69 Å. All Co–Pd bond lengths are 2.65 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Co and six equivalent Pd atoms to form distorted PdCo6Pd6 cuboctahedra that share corners with twelve PdCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, edges with twelve PdCo6Pd6 cuboctahedra, faces with six equivalent PdCo6Pd6 cuboctahedra, and faces with twelve CoCo6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.69 Å. In the second Pd site, Pd is bonded to six Co and ten equivalent Pd atoms to form distorted PdCo6Pd10 cuboctahedra that share corners with ten CoCo6Pd6 cuboctahedra, corners with twelve PdCo6Pd6 cuboctahedra, edges with eight CoCo6Pd6 cuboctahedra, edges with sixteen PdCo6Pd6 cuboctahedra, faces with sixteen equivalent PdCo6Pd10 cuboctahedra, and faces with eighteen CoCo6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.69–5.38 Å.

36 MATERIALS SCIENCE↗