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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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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Tin Metal Improves the Lithiation Kinetics of High-Capacity Silicon Anodes

Si-based anodes present a great promise for high energy density lithium-ion batteries. However, its commercialization is largely hindered by a grand challenge of a rapid capacity fade. Here, we demonstrate excellent cycling stability on a Si-Sn thin film electrode that outperforms pure Si or Sn counterpart under the similar conditions. Combined with the first-principles calculations, in situ transmission electron microscopy studies reveal a reduced volume expansion, increased conductivity, as well as dynamic rearrangement upon lithiation of the Si-Sn film. Here we attribute the improved lithiation kinetics to the formation of a conductive matrix that comprises a mosaic of nanostructured Sn, Li y Sn (specifically, Li 7 Sn 2 develops around the lithiation potential of Si), and Li x Si. This work provides an important advance in understanding the lithiation mechanism of Si-based anodes for next-generation lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

One-Step Spark Plasma Erosion Processing of Carbon-Coated Sn-Si Nanoparticles for Lithium-Ion Battery Anodes

High density portable energy storage is desirable owing to the energy requirements of portable electronics and electric vehicles. The Li-ion battery’s high energy density could be even further improved through the utilization of alternative materials (instead of carbon) for the anode, such as Sn or Si. Nonetheless, the large volume expansion upon lithiation, up to ~300% for Li 22 Si 5 , causes pulverization and rapid capacity degradation during cycling. Sn also forms a Li 22 Sn 5 compound with the equivalent stoichiometric Li capacity but with enhanced ductility. Nano-sized Si and Sn have demonstrated distinctive nanoscale properties, facilitating the retention of higher capacities, particularly when coated with carbon, which improves mechanical stability. To date, the methods of synthesizing coated Si, Sn, or Si-Sn alloyed nanoparticles are complicated, costly, and not readily scalable to meet the demands of cost-effective manufacturing. Spark plasma erosion in a hydrocarbon dielectric has been explored as a one-step process to produce Sn-Si alloy nanoparticles coated with a thin carbon film, offering a scalable and cost-effective processing route. The resulting Sn-Si particles exhibited a bi-modal size distribution at ~5 nm and ~500 nm and were carbon-coated, as intended, from the hydrocarbon dielectric breakdown. The spark-eroded nanoparticles were thoroughly characterized using TEM/EDS, XPS, AES, SSNMR, and TGA, and their improved electrochemical performance was assessed through half-cell experiments.

25 ENERGY STORAGE↗
DOE OSTI2020

Materials Data on SiSn3 by Materials Project

Sn3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn is bonded to eight equivalent Sn and four equivalent Si atoms to form distorted SnSi4Sn8 cuboctahedra that share corners with twelve equivalent SnSi4Sn8 cuboctahedra, edges with eight equivalent SiSn12 cuboctahedra, edges with sixteen equivalent SnSi4Sn8 cuboctahedra, faces with four equivalent SiSn12 cuboctahedra, and faces with fourteen equivalent SnSi4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.29 Å. All Sn–Si bond lengths are 3.29 Å. Si is bonded to twelve equivalent Sn atoms to form distorted SiSn12 cuboctahedra that share corners with twelve equivalent SiSn12 cuboctahedra, edges with twenty-four equivalent SnSi4Sn8 cuboctahedra, faces with six equivalent SiSn12 cuboctahedra, and faces with twelve equivalent SnSi4Sn8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiSn by Materials Project

SiSn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sn4+ is bonded to four equivalent Si4- atoms to form corner-sharing SnSi4 tetrahedra. All Sn–Si bond lengths are 2.63 Å. Si4- is bonded to four equivalent Sn4+ atoms to form corner-sharing SiSn4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiSn3 by Materials Project

Sn3Si crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Sn and three equivalent Si atoms. There are a spread of Sn–Sn bond distances ranging from 3.15–3.42 Å. There are a spread of Sn–Si bond distances ranging from 3.02–3.18 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight equivalent Sn and two equivalent Si atoms. Both Sn–Si bond lengths are 3.28 Å. Si is bonded in a 6-coordinate geometry to eight Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si18Sn by Materials Project

Sn(Si)18 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of six Si ribbons oriented in the (1, 0, 0) direction and one Sn ribbon oriented in the (1, 0, 0) direction. In each Si ribbon, there are three inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a square co-planar geometry to four Si atoms. In the Sn ribbon, Sn is bonded in a distorted linear geometry to two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.53 Å.

36 MATERIALS SCIENCE↗