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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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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Time-varying gradient metasurface with applications in all-optical beam steering

Integrating the large, subpicosecond nonlinear optical response of epsilon-near-zero (ENZ) materials with the broad design freedoms of plasmonic metasurfaces shows potential for creating rapidly modulated optical devices with possible applications in telecommunications, sensing, and reactive beam steering. In this work, we experimentally investigate a metasurface consisting of a plasmonic gradient array on a thin layer of indium tin oxide (ITO), characterize how incident probe pulses diffract from a system as it is being dynamically modulated by a pump pulse at wavelengths near the ENZ region. Angular shifts in the diffraction orders are observed and can be principally attributed to the adiabatic wavelength conversion of the probe as it witnesses the temporal change of index induced by the pump. Of note, the asymmetric gradient metasurface, considered to be a blazed diffraction grating, shows significantly different dynamic responses for different diffraction orders. The free-space wavelength shift to +1 and -1 diffraction orders is 6 and 12 nm, resulting in steering angle changes of 0.65 and 1.5°, respectively.

42 ENGINEERING↗
DOE OSTI2025

Ultrafast optical modulation of vibrational strong coupling in ReCl(CO) 3 (2,2-bipyridine)

Polaritons – hybrid light-matter states formed from the strong coupling of a bright molecular transition with a confined photonic mode – may offer new opportunities for optical control of molecular behavior. Vibrational strong coupling (VSC) has been reported to impact ground-state chemical reactivity, but its influence on electronic excited-state dynamics remains unexplored. Here, we take a first step towards excited-state VSC by demonstrating optical modulation of the ReCl(CO) 3 (bpy), (bpy = 2,2-bipyridine) complex under VSC using femtosecond ultraviolet (UV)-pump/infrared (IR)-probe spectroscopy. We establish ground-state VSC of ReCl(CO) 3 (bpy) in a microfluidic Fabry-Pérot cavity equipped with indium tin oxide (ITO)-coated mirrors. ITO is effectively dichroic as it is reflective in the IR and transmissive in the UV-visible and therefore minimizes optical interference. Excitation with UV pump light drives ReCl(CO) 3 (bpy) into a manifold of electronic excited states that subsequently undergo non-radiative relaxation dynamics. We probe the transient response of the strongly-coupled system in the mid-IR, observing both Rabi contraction and cavity-filtered excited-state absorption signatures. We reconstruct the intrinsic response of intracavity molecules from the transient cavity transmission spectra to enable quantitative comparison with extracavity control experiments. We report no changes in the excited-state dynamics of ReCl(CO) 3 (bpy) under ground-state VSC. However, we do observe significant amplification of transient vibrational signals due to classical cavity-enhanced optical effects. This effort lays the groundwork to pursue direct excited-state VSC aimed at modulating photochemical reactivity.

cavity-enhanced spectroscopy↗
DOE OSTI2021

The electronic states of ITO–MoS2: Experiment and theory

Abstract We report a combination of experimental results with density functional theory (DFT) calculations to understand electronic structure of indium tin oxide and molybdenum disulfide (ITO–MoS 2 ) interface. Our results indicate ITO and MoS 2 conform an n-type Schottky barrier of c.a. − 1.0 eV due to orbital interactions; formation of an ohmic contact is caused by semiconducting and metal behavior of ITO as a function of crystal plane orientation. ITO introduces energy levels around the Fermi level in all interface models in the Γ-Μ-Κ-Γ path. The resulted Van der Waals interface and the values of Schottky barrier height enhance electron carrier injection. Graphical abstract

López-Galán, Oscar A. (ORCID:0000000292912562)↗
DOE OSTI2020

Materials Data on Ca(NiO2)4 by Materials Project

Ca(NiO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Ca–O bond lengths are 2.36 Å. There are two inequivalent Ni+3.50+ sites. In the first Ni+3.50+ site, Ni+3.50+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is four shorter (1.89 Å) and two longer (1.91 Å) Ni–O bond length. In the second Ni+3.50+ site, Ni+3.50+ is bonded to six equivalent O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ca2+ and three Ni+3.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ni+3.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al4Co(BO5)2 by Materials Project

CoAl4(BO5)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent AlO6 octahedra, corners with two equivalent BO4 tetrahedra, edges with four AlO6 octahedra, and edges with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–72°. There are a spread of Co–O bond distances ranging from 2.02–2.14 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with six AlO6 octahedra, corners with three equivalent BO4 tetrahedra, an edgeedge with one CoO6 octahedra, an edgeedge with one AlO6 octahedra, and an edgeedge with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–72°. There are a spread of Al–O bond distances ranging from 1.82–2.06 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six AlO6 octahedra, corners with two equivalent BO4 tetrahedra, an edgeedge with one CoO6 octahedra, edges with two AlO6 octahedra, and an edgeedge with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Al–O bond distances ranging from 1.82–2.06 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one CoO6 octahedra, corners with five AlO6 octahedra, an edgeedge with one CoO6 octahedra, and edges with two AlO6 octahedra. The corner-sharing octahedra tilt angles range from 53–63°. There are a spread of B–O bond distances ranging from 1.45–1.54 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Co2+, two Al3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Co2+, two equivalent Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three Al3+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Co2+, two Al3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Al3+ and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In(TeMo)3 by Materials Project

(MoTe)3In crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two indium molecules and one MoTe ribbon oriented in the (0, 1, 0) direction. In the MoTe ribbon, there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.66–2.78 Å. There are a spread of Mo–Te bond distances ranging from 2.84–2.90 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six equivalent Mo and four Te atoms. There are a spread of Mo–Te bond distances ranging from 2.84–2.90 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four Mo atoms. In the second Te site, Te is bonded in a 4-coordinate geometry to four Mo atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2S3 by Materials Project

In2S3 is beta indium sulfide structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are two shorter (2.51 Å) and two longer (2.52 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with four equivalent InS4 tetrahedra and edges with six InS6 octahedra. There are a spread of In–S bond distances ranging from 2.58–2.74 Å. In the third In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with four equivalent InS4 tetrahedra and edges with six InS6 octahedra. There are two shorter (2.56 Å) and four longer (2.70 Å) In–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four In3+ atoms to form a mixture of distorted corner and edge-sharing SIn4 tetrahedra. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three In3+ atoms. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four In3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAsF6 by Materials Project

InAsF6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three indium molecules and three AsF6 clusters. In each AsF6 cluster, As3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to one As3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In5S4 by Materials Project

In5S4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight indium molecules and one InS framework. In the InS framework, there are two inequivalent In+1.60+ sites. In the first In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All In–S bond lengths are 2.58 Å. In the second In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.53–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In+1.60+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In+1.60+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InSn2I5 by Materials Project

InSn2I5 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four indium, elemental molecules and two Sn2I5 sheets oriented in the (0, 0, 1) direction. In each Sn2I5 sheet, Sn2+ is bonded in a 4-coordinate geometry to four I1- atoms. There are two shorter (3.03 Å) and two longer (3.31 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a square co-planar geometry to four equivalent Sn2+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2InI5 by Materials Project

Sr2I5In crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four indium molecules and two Sr2I5 sheets oriented in the (0, 0, 1) direction. In each Sr2I5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.29–3.53 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InSn2Br5 by Materials Project

InSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four indium molecules and two Sn2Br5 sheets oriented in the (0, 0, 1) direction. In each Sn2Br5 sheet, Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.80 Å) and two longer (3.11 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a square co-planar geometry to four equivalent Sn2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPb2I5 by Materials Project

InPb2I5 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four indium molecules and two Pb2I5 sheets oriented in the (0, 0, 1) direction. In each Pb2I5 sheet, Pb2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Pb–I bond distances ranging from 3.16–3.61 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a square co-planar geometry to four equivalent Pb2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2Mn3Cl8 by Materials Project

Na2Mn3Cl8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Cl1- atoms to form distorted NaCl6 pentagonal pyramids that share corners with six equivalent MnCl6 octahedra, edges with three equivalent MnCl6 octahedra, and edges with three equivalent NaCl6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. There are three shorter (2.85 Å) and three longer (2.88 Å) Na–Cl bond lengths. Mn2+ is bonded to six Cl1- atoms to form MnCl6 octahedra that share corners with four equivalent NaCl6 pentagonal pyramids, edges with four equivalent MnCl6 octahedra, and edges with two equivalent NaCl6 pentagonal pyramids. There are four shorter (2.55 Å) and two longer (2.57 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded to two equivalent Na1+ and two equivalent Mn2+ atoms to form a mixture of corner and edge-sharing ClNa2Mn2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IF7 by Materials Project

IF7 is Indium structured and crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four IF7 clusters. I is bonded in a pentagonal bipyramidal geometry to seven F atoms. There is two shorter (1.85 Å) and five longer (1.90 Å) I–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2H2S3 by Materials Project

Si2H2S3 is Indium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilaadamantane molecules. Si4+ is bonded to one H1- and three S2- atoms to form corner-sharing SiHS3 tetrahedra. The Si–H bond length is 1.48 Å. All Si–S bond lengths are 2.15 Å. H1- is bonded in a single-bond geometry to one Si4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In5Cl9 by Materials Project

(In)3In2Cl9 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of eighteen indium molecules and six In2Cl9 clusters. In each In2Cl9 cluster, In+1.80+ is bonded to six Cl1- atoms to form distorted face-sharing InCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.67 Å) In–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent In+1.80+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In+1.80+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2Pb3O4 by Materials Project

Pb3O2(OH)2 is Indium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two Pb3O2(OH)2 clusters. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.49 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.57 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one H1+ atom.

36 MATERIALS SCIENCE↗