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Results for “FORMIC ACID”

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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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Atomic layer deposition of ultrathin Cu{sub 2}O and subsequent reduction to Cu studied by in situ x-ray photoelectron spectroscopy

The growth of ultrathin (<5 nm) Ru-doped Cu{sub 2}O films deposited on SiO{sub 2} by atomic layer deposition (ALD) and Cu films by subsequent reduction of the Cu{sub 2}O using HCO{sub 2}H or CO is reported. Ru-doped Cu{sub 2}O has been deposited by a mixture of 16: 99 mol. % of [({sup n}Bu{sub 3}P){sub 2}Cu(acac)] as Cu precursor and 17: 1 mol. % of [Ru(η{sup 5}-C{sub 7}H{sub 11})(η{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3})] as Ru precursor. The catalytic amount of Ru precursor was to support low temperature reduction of Cu{sub 2}O to metallic Cu by formic acid (HCO{sub 2}H) on arbitrary substrate. In situ x-ray photoelectron spectroscopy investigations of the Cu{sub 2}O ALD film indicated nearly 1 at. % of carbon contamination and a phosphorous contamination below the detection limit after sputter cleaning. Systematic investigations of the reduction of Ru-doped Cu{sub 2}O to metallic Cu by HCO{sub 2}H or CO as reducing agents are described. Following the ALD of 3.0 nm Cu{sub 2}O, the ultrathin films are reduced between 100 and 160 °C. The use of HCO{sub 2}H at 110 °C enabled the reduction of around 90% Cu{sub 2}O. HCO{sub 2}H is found to be very effective in the removal of oxygen from Ru-doped Cu{sub 2}O films with 2.5–4.7 nm thickness. In contrast, CO was effective for the removal of oxygen from the Cu{sub 2}O films only below 3.0 nm at 145 °C. Root mean square surface roughness of 0.4 ± 0.1 nm was observed from atomic force microscopy (AFM) investigations after the ALD of Cu{sub 2}O, followed by the subsequent reduction of 3.0 nm Cu{sub 2}O using either HCO{sub 2}H at 110 °C or CO at 145 °C on SiO{sub 2}. Furthermore, ex situ low energy ion scattering and AFM investigations confirmed that the Cu{sub 2}O film after ALD and Cu films after subsequent reduction was continuous on the SiO{sub 2} substrate.

42 ENGINEERING↗
DOE OSTI2017

A spongy nickel-organic CO 2 reduction photocatalyst for nearly 100% selective CO production

Solar-driven photocatalytic conversion of CO 2 into fuels has attracted a lot of interest; however, developing active catalysts that can selectively convert CO 2 to fuels with desirable reaction products remains a grand challenge. For instance, complete suppression of the competing H 2 evolution during photocatalytic CO 2 -to-CO conversion has not been achieved before. We design and synthesize a spongy nickel-organic heterogeneous photocatalyst via a photochemical route. The catalyst has a crystalline network architecture with a high concentration of defects. It is highly active in converting CO 2 to CO, with a production rate of ~1.6 × 10 4 μmol hour –1 g –1 . No measurable H 2 is generated during the reaction, leading to nearly 100% selective CO production over H 2 evolution. When the spongy Ni-organic catalyst is enriched with Rh or Ag nanocrystals, the controlled photocatalytic CO 2 reduction reactions generate formic acid and acetic acid. As a result, achieving such a spongy nickel-organic photocatalyst is a critical step toward practical production of high-value multicarbon fuels using solar energy.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Shape regulation of high-index facet nanoparticles by dealloying

Tetrahexahedral particles (~10 to ~500 nanometers) composed of platinum (Pt), palladium, rhodium, nickel, and cobalt, as well as a library of bimetallic compositions, were synthesized on silicon wafers and on catalytic supports by a ligand-free, solid-state reaction that used trace elements [antimony (Sb), bismuth (Bi), lead, or tellurium] to stabilize high-index facets. Both simulation and experiment confirmed that this method stabilized the {210} planes. A study of the PtSb system showed that the tetrahexahedron shape resulted from the evaporative removal of Sb from the initial alloy—a shape-regulating process fundamentally different from solution-phase, ligand-dependent processes. The current density at a fixed potential for the electro-oxidation of formic acid with a commercial Pt/carbon catalyst increased by a factor of 20 after transformation with Bi into tetrahexahedral particles.

Huang, Liliang (ORCID:0000000234740846)↗
DOE OSTI2020

Hydrogenation of Pyrolysis Oil from Loblolly Pine Residue

Loblolly pine residue prepared with and without zeolite ZSM-5 was pyrolyzed at 60°C and the pyrolysis oil was hydrogenated using formic acid as a hydrogen source, in the presence of a Ru/activated carbon catalyst. As indicated by the pyrolysis yield, addition of the zeolite ZSM-5 increased the yield of light oil but decreased the yield of heavy oil. The pyrolysis oils were analyzed by 13 C, 31 P, 19 F, and heteronuclear single quantum coherence or heteronuclear single quantum correlation nuclear magnetic resonance (HSQC-NMR), demonstrating that the zeolite ZSM-5 can efficiently induce decarboxylation reactions and decrease the content of aliphatic hydroxyl groups in the heavy oil by 57%. After hydrogenation of the pyrolysis oil, the aromatic carbon content decreased by 78%, with a significant increase in the aliphatic carbon content.

hydrogenation↗
DOE OSTI2020

Materials Data on H22RhC3(N3O4)2 by Materials Project

RhN6H18(CO2)3(H2O)2 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of twelve formic acid molecules, eight water molecules, and four RhN6H18 clusters. In each RhN6H18 cluster, Rh4+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (2.10 Å) and four longer (2.11 Å) Rh–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H9C3N3O2 by Materials Project

C2N3H8CHO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four formic acid molecules and four methylguanidinium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H11C4NO10 by Materials Project

NH4(CH3O3)2HC2O4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonium molecules, four formic acid water molecules, and two HC2O4 clusters. In each HC2O4 cluster, there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (1.35 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one C3+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuH2(CO2)2 by Materials Project

Cu(HCOO)2 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of eight formic acid molecules and four CuCHO2 ribbons oriented in the (0, 1, 0) direction. In each CuCHO2 ribbon, Cu2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.87 Å) and one longer (1.90 Å) Cu–O bond length. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Cu2+ and one C2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one C2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H10C2N2O5 by Materials Project

(NH4)2(CO2)2H2O crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of four ammonium molecules, four formic acid molecules, and two water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H22IrC3(N3O4)2 by Materials Project

IrN6H18(CO2)3(H2O)2 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of four azane;iridium molecules, twelve formic acid molecules, and eight water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbH3C2(O2F3)2 by Materials Project

CHO2CSbH2(OF3)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four formic acid molecules and four CSbH2(OF3)2 clusters. In each CSbH2(OF3)2 cluster, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.28 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one H1+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one H1+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UH16C4(NO3)4 by Materials Project

UO2(NH4)3(CO2)4NH2OH2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve ammonium molecules; sixteen formic acid molecules; four hydroxylamine molecules; four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules; and four water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on PuCoH24C4N6O13 by Materials Project

PuO2Co(NH3)2(NH3)3(CO2)3H2CO3NH7O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six ammonia molecules, two ammonia dihydrate molecules, six formic acid molecules, two monohydrate methylene glycol molecules, two plutonium;dihydrate molecules, and two Co(NH3)2 clusters. In each Co(NH3)2 cluster, Co1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to one Co1+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 0.83–1.45 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoH22C3(N3O4)2 by Materials Project

Co(NH3)6(CO2)3(H2O)2 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, twelve formic acid molecules, and eight water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on K2Mn7H18(C9O20)2 by Materials Project

K2Mn7H14(C7O16)2(CHO2)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four formic acid molecules and one K2Mn7H14(C7O16)2 cluster. In the K2Mn7H14(C7O16)2 cluster, K is bonded in a 1-coordinate geometry to one O atom. The K–O bond length is 2.42 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to four O atoms. There is two shorter (1.61 Å) and two longer (2.12 Å) Mn–O bond length. In the second Mn site, Mn is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of Mn–O bond distances ranging from 2.00–2.45 Å. In the third Mn site, Mn is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Mn–O bond distances ranging from 1.64–2.28 Å. In the fourth Mn site, Mn is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.37–2.08 Å. There are seven inequivalent C sites. In the first C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.21 Å. There is one shorter (0.89 Å) and one longer (1.35 Å) C–O bond length. In the second C site, C is bonded in a 3-coordinate geometry to one H and two O atoms. The C–H bond length is 1.05 Å. There is one shorter (1.17 Å) and one longer (1.56 Å) C–O bond length. In the third C site, C is bonded in a 1-coordinate geometry to one H and two O atoms. The C–H bond length is 1.47 Å. There is one shorter (0.87 Å) and one longer (1.50 Å) C–O bond length. In the fourth C site, C is bonded in a trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.12 Å. There is one shorter (1.22 Å) and one longer (1.37 Å) C–O bond length. In the fifth C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 0.97 Å. There is one shorter (1.50 Å) and one longer (1.70 Å) C–O bond length. In the sixth C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.11 Å. There is one shorter (1.52 Å) and one longer (1.75 Å) C–O bond length. In the seventh C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.06 Å. There is one shorter (1.42 Å) and one longer (1.69 Å) C–O bond length. There are seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a distorted single-bond geometry to one C atom. In the third H site, H is bonded in a single-bond geometry to one C atom. In the fourth H site, H is bonded in a single-bond geometry to one C atom. In the fifth H site, H is bonded in a single-bond geometry to one C atom. In the sixth H site, H is bonded in a single-bond geometry to one C atom. In the seventh H site, H is bonded in a single-bond geometry to one C atom. There are sixteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Mn and one C atom. In the second O site, O is bonded in a single-bond geometry to one Mn atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the fourth O site, O is bonded in a single-bond geometry to two Mn atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to one Mn and one C atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mn and one C atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Mn and one C atom. In the ninth O site, O is bonded in a 3-coordinate geometry to one K, one Mn, and one C atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to one Mn and one C atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Mn and one C atom. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Mn and one C atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H6C6NO by Materials Project

C6H4NHOH crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one formic acid molecule, one trimethylamine molecule, and one C8NH5 cluster. In the C8NH5 cluster, there are eight inequivalent C+0.17- sites. In the first C+0.17- site, C+0.17- is bonded in a trigonal planar geometry to three C+0.17- atoms. There is two shorter (1.42 Å) and one longer (1.44 Å) C–C bond length. In the second C+0.17- site, C+0.17- is bonded in a distorted trigonal planar geometry to two C+0.17- and one H1+ atom. The C–C bond length is 1.38 Å. The C–H bond length is 1.09 Å. In the third C+0.17- site, C+0.17- is bonded in a distorted single-bond geometry to one C+0.17- and one H1+ atom. The C–H bond length is 1.09 Å. In the fourth C+0.17- site, C+0.17- is bonded in a distorted single-bond geometry to one C+0.17- and one H1+ atom. The C–C bond length is 1.38 Å. The C–H bond length is 1.09 Å. In the fifth C+0.17- site, C+0.17- is bonded in a distorted trigonal planar geometry to two C+0.17- and one H1+ atom. The C–H bond length is 1.09 Å. In the sixth C+0.17- site, C+0.17- is bonded in a distorted trigonal planar geometry to two C+0.17- and one H1+ atom. The C–C bond length is 1.38 Å. The C–H bond length is 1.09 Å. In the seventh C+0.17- site, C+0.17- is bonded in a bent 120 degrees geometry to two C+0.17- atoms. The C–C bond length is 1.43 Å. In the eighth C+0.17- site, C+0.17- is bonded in a linear geometry to one C+0.17- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a single-bond geometry to one C+0.17- atom. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.17- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.17- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.17- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.17- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.17- atom.

36 MATERIALS SCIENCE↗