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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnNi(PO4)2 by Materials Project

MnNi(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent NiO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Mn–O bond distances ranging from 1.91–2.04 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ni–O bond distances ranging from 1.97–2.17 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra, corners with three equivalent NiO6 octahedra, and an edgeedge with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–59°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NiO6 octahedra, corners with three equivalent MnO6 octahedra, and an edgeedge with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of P–O bond distances ranging from 1.50–1.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ni4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+, one Ni4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Ni4+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn2+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2(MnNi)5 by Materials Project

Ce2(MnNi)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Mn and twelve Ni atoms. There are four shorter (2.95 Å) and two longer (2.99 Å) Ce–Mn bond lengths. All Ce–Ni bond lengths are 3.25 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to ten Mn and eight equivalent Ni atoms. There are six shorter (2.92 Å) and four longer (3.25 Å) Ce–Mn bond lengths. All Ce–Ni bond lengths are 3.21 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to three Ce, two equivalent Mn, and four equivalent Ni atoms. Both Mn–Mn bond lengths are 2.44 Å. All Mn–Ni bond lengths are 2.50 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to three Ce and six Ni atoms. There are two shorter (2.48 Å) and four longer (2.49 Å) Mn–Ni bond lengths. In the third Mn site, Mn is bonded to four equivalent Ce, four equivalent Mn, and four equivalent Ni atoms to form distorted MnCe4Mn4Ni4 cuboctahedra that share corners with four equivalent MnCe4Mn4Ni4 cuboctahedra, corners with twelve NiCe4Mn5Ni3 cuboctahedra, edges with two equivalent MnCe4Mn4Ni4 cuboctahedra, edges with eight equivalent NiCe4Mn5Ni3 cuboctahedra, faces with two equivalent MnCe4Mn4Ni4 cuboctahedra, and faces with eight equivalent NiCe4Mn5Ni3 cuboctahedra. All Mn–Ni bond lengths are 2.52 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ce, four equivalent Mn, and four equivalent Ni atoms to form distorted NiCe4Mn4Ni4 cuboctahedra that share corners with four equivalent MnCe4Mn4Ni4 cuboctahedra, corners with twelve NiCe4Mn5Ni3 cuboctahedra, edges with ten NiCe4Mn5Ni3 cuboctahedra, and faces with ten NiCe4Mn4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.55 Å. In the second Ni site, Ni is bonded to four Ce, five Mn, and three Ni atoms to form distorted NiCe4Mn5Ni3 cuboctahedra that share corners with two equivalent MnCe4Mn4Ni4 cuboctahedra, corners with fourteen NiCe4Mn4Ni4 cuboctahedra, edges with two equivalent MnCe4Mn4Ni4 cuboctahedra, edges with eight NiCe4Mn4Ni4 cuboctahedra, faces with two equivalent MnCe4Mn4Ni4 cuboctahedra, and faces with eight NiCe4Mn4Ni4 cuboctahedra. There are one shorter (2.55 Å) and one longer (2.58 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi by Materials Project

NiMn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mn–Ni bond lengths are 2.53 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi by Materials Project

NiMn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mn–Ni bond lengths are 2.52 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi(BiO3)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi(BiO3)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi(BiO3)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi by Materials Project

NiMn crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to eight equivalent Ni atoms. There are four shorter (2.44 Å) and four longer (2.67 Å) Mn–Ni bond lengths. Ni is bonded in a 12-coordinate geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Facile Solvent-Free Synthesis of Manganese Nickel-Layered Double Hydroxide for Sustainable Water-Splitting Applications

The quest for efficient and sustainable water-splitting electrocatalysts has led to the development of a novel bifunctional material, manganese nickel-layered double hydroxide (MnNi-LDH), which demonstrates promising performance for both the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Although manganese-based materials are less explored than other transition metals, they offer significant potential owing to their widespread availability, affordability, and customizable electronic characteristics. MnNi-LDH exhibits a nanosheet morphology and a layered structure, which collectively provide numerous accessible active sites and facilitate efficient charge transfer and mass transport. Characterization using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy, and transmission electron microscopy reveals the structural and compositional properties of MnNi-LDH. The oxidation states of Mn and Ni, as determined by XPS, play a crucial role in improving the catalytic activity. Notably, MnNi-LDH demonstrates low overpotentials of 187 mV for OER and 225 mV for HER at 10 mA/cm 2 current density comparable to conventional catalysts. Long-term stability tests show minimal degradation in cell performance over 50 h, with a current density drop of only 0.6153% per hour for the OER and 0.37% per hour for the HER. Further, these findings highlight the potential of MnNi-LDH as a promising and environmentally friendly bifunctional electrocatalyst for water splitting, contributing to the advancement of renewable energy sources.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗