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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-Mass Loading of Flower-like Ni-MoS 2 microspheres Toward Efficient Intercalation pseudocapacitive Electrode

This work reports the exploration of intercalation pseudocapacitance in a thicker electrode of flowerlike Ni-doped MoS 2 microspheres that features a mass loading of ~10 mg/cm 2 without sacrificing the gravimetric capacitance (~425 F/g at 5 mV/s). Integration of Ni atoms into MoS 2 microspheres not only stabilized the structural integrity but also ameliorated the rapid intercalation and deintercalation of electrolyte ions even at a commercial-level mass loading. The energy instability by Ni doping significantly changed the local bonding behavior and the overall electronic structure of MoS 2 , facilitating the breaking of the MoS 2 layer and generation of more active edge sites, which are responsible for faster reaction kinetics. The experiments attribute the overall capacitance enhancement in (Mo-Ni)S 2 to the increased rate of electrolyte ion insertion and extraction, which is confirmed by b-values close to 0.5, at different potentials, indicating that the current response predominantly depends on the diffusive mechanism for both MoS 2 and Ni-MoS 2 thicker electrodes. The symmetric device constructed with Ni-MoS 2 microspheres exhibited a capacitance value of 101 F/g in 1 mV/s, for which the energy density is 9 Wh/kg, as well as attained an outstanding cycling stability of 10000 cycles with 60% retention at 2 A/g. In addition to providing insights into the development of 2D TMDs, this work explores the design of robust and highly efficient intercalation electrode material for electrochemical energy storage devices.

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

Materials Data on Ni3Mo by Materials Project

Ni3Mo is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mo is bonded to twelve Ni atoms to form MoNi12 cuboctahedra that share corners with two equivalent MoNi12 cuboctahedra, corners with sixteen NiNi8Mo4 cuboctahedra, edges with six equivalent MoNi12 cuboctahedra, edges with twelve equivalent NiNi8Mo4 cuboctahedra, faces with six equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi8Mo4 cuboctahedra. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Mo and eight Ni atoms to form NiNi8Mo4 cuboctahedra that share corners with four equivalent MoNi12 cuboctahedra, corners with fourteen NiNi8Mo4 cuboctahedra, edges with six equivalent MoNi12 cuboctahedra, edges with twelve NiNi8Mo4 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with sixteen NiNi8Mo4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.50–2.59 Å. In the second Ni site, Ni is bonded to four equivalent Mo and eight equivalent Ni atoms to form distorted NiNi8Mo4 cuboctahedra that share corners with eight equivalent MoNi12 cuboctahedra, corners with ten NiNi8Mo4 cuboctahedra, edges with eighteen NiNi8Mo4 cuboctahedra, faces with six equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi8Mo4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni4Mo by Materials Project

Ni4Mo crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo is bonded to twelve Ni atoms to form MoNi12 cuboctahedra that share corners with twelve NiNi9Mo3 cuboctahedra, edges with eight equivalent MoNi12 cuboctahedra, edges with sixteen NiNi9Mo3 cuboctahedra, faces with two equivalent MoNi12 cuboctahedra, and faces with sixteen NiNi9Mo3 cuboctahedra. There are eight shorter (2.54 Å) and four longer (2.56 Å) Mo–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.57 Å. In the second Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. The Ni–Ni bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni2Mo by Materials Project

Ni2Mo crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo is bonded to two equivalent Mo and ten equivalent Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two equivalent MoNi10Mo2 cuboctahedra, corners with ten equivalent NiNi7Mo5 cuboctahedra, edges with twelve equivalent MoNi10Mo2 cuboctahedra, edges with twelve equivalent NiNi7Mo5 cuboctahedra, faces with four equivalent MoNi10Mo2 cuboctahedra, and faces with fourteen equivalent NiNi7Mo5 cuboctahedra. Both Mo–Mo bond lengths are 2.65 Å. There are two shorter (2.56 Å) and eight longer (2.61 Å) Mo–Ni bond lengths. Ni is bonded to five equivalent Mo and seven equivalent Ni atoms to form distorted NiNi7Mo5 cuboctahedra that share corners with five equivalent MoNi10Mo2 cuboctahedra, corners with seven equivalent NiNi7Mo5 cuboctahedra, edges with six equivalent MoNi10Mo2 cuboctahedra, edges with eighteen equivalent NiNi7Mo5 cuboctahedra, faces with seven equivalent MoNi10Mo2 cuboctahedra, and faces with eleven equivalent NiNi7Mo5 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.58–2.65 Å.

36 MATERIALS SCIENCE↗