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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Comparison of structural and electrical properties of Co{sup 2+}doped Mn-Zn soft nano ferrites prepared via coprecipitation and hydrothermal methods

Graphical abstract: - Highlights: • Coprecipitation and hydrothermal synthesis of Co{sup 2+} doped Mn-Zn ferrites. • Dielectric measurements at 3 MHz and 1 GHz frequencies. • Enhanced DC electrical resistivity for samples prepared from hydrothermal technique. • Impedance studies for the prepared samples showing major contribution due to grains. - Abstract: A series of Co doped Mn-Zn ferrites compounds with the formula Mn{sub 0.5}Zn{sub 0.5−x}Co{sub x}Fe{sub 2}O{sub 4} (x = 0, 0.15, 0.25, 0.35 and 0.50) were successfully synthesized by polyethylene glycol-assisted coprecipitation and hydrothermal methods. The structural characterization of the samples was done using X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and Fourier transform infrared spectroscopy (FTIR). All the samples found to have cubic spinel structure. The average crystallite size of all nanoparticles were estimated using Scherrer's formula and found to lie between 10 and 25 ± 3 nm with small size distribution of particles prepared by hydrothermal method. The FTIR spectrum showed two absorption bands of tetrahedral and octahedral metal-oxygen sites. DC electrical resistivity varied from 4.12 × 10{sup 7} to 8.32 × 10{sup 10} ohm cm with cobalt doping. The dielectric measurements were performed from 20 Hz to 3 MHz and from 1 MHz to 1 GHz frequency ranges. The value of dielectric constant (ε′) varies from 15.54 to 106.25 (1 MHz) and 6.73–16.48 (1 GHz) for all the samples at room temperature. Impedance spectroscopy was carried out from 20 Hz to 3 MHz, at room temperature to study the grains and grain boundaries effect.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Correlation between surface chemistry, density and band gap in nanocrystalline WO3 thin films

Nanocrystalline WO3 thin films were produced by sputter-deposition by varying the ratio of argon to oxygen in the reactive gas mixture during deposition. The surface chemistry, physical characteristics, and optical properties of nanocrystalline WO3 films were evaluated using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray reflectivity (XRR), and spectrophotometric measurements. The effect of ultra-microstructure was significant on the optical properties of WO3 films. The XPS analyses indicate the formation of stoichiometric WO3 with tungsten existing in fully oxidized valence state (W6+). However, WO3 films grown at high oxygen concentration (>60%) in the sputtering gas mixture were over stoichiometric with excess oxygen. XRR simulations, which are based on isotropic WO3 film - SiO2 interface - Si substrate model, indicate that the density of WO3 films is sensitive to the oxygen content in the sputtering gas. The spectral transmission of the films increased with the increasing oxygen. The band gap of these films increases from 2.78 eV to 3.25 eV with increasing oxygen. A direct correlation between the film-density and band gap in nanocrystalline WO3 films is established based on the observed results.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Visible photoluminescence and room temperature ferromagnetism in high In-content InGaN:Yb nanorods grown by molecular beam epitaxy

We report the growth of high indium content InGaN:Yb nanorods grown on c-plane sapphire (0001) substrates using plasma assisted molecular beam epitaxy. The in situ reflection high energy electron diffraction patterns recorded during and after the growth revealed crystalline nature of the nanorods. The nanorods were examined using electron microscopy and atomic force microscopy. The photoluminescence studies of the nanorods showed the visible emissions. The In composition was calculated from x-ray diffraction, x-ray photoelectron spectroscopy, and the photoluminescence spectroscopy. The In-concentration was obtained from photoluminescence using modified Vegard's law and found to be around 37% for InGaN and 38% for Yb (5 ± 1%)-doped InGaN with a bowing parameter b = 1.01 eV. The Yb-doped InGaN showed significant enhancement in photoluminescence properties compared to the undoped InGaN. The Yb-doped InGaN nanorods demonstrated the shifting of the photoluminescence band at room temperature, reducing luminescence amplitude temperature dependent fluctuation, and significant narrowing of excitonic emission band as compared to the undoped InGaN. The magnetic properties measured by superconducting quantum interference devices reveals room temperature ferromagnetism, which can be explained by the double exchange mechanism and magnetostriction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Characterizing the composition, structure, and mechanical properties of magnetron sputtering physical vapor deposition TiN and TiSiN coatings

Ti(Si)N coatings were deposited on Si wafers via magnetron sputtering physical vapor deposition technique. Scanning electron microscopy and atomic force microscopy were used to study the morphologies, grain size, and thicknesses of the different films. X-ray diffraction confirmed the formation of the titanium nitride cubic phase. X-ray photoelectron spectroscopy (XPS) was used to study the silicon and oxygen levels in the films, and high resolution XPS was used to determine the surface oxide to nitride ratios as well as the silicon–nitrogen environment. The hardness of these films was then determined with nanoindentation. It was shown that grain size and film density could be controlled by the Si level and the ion bombardment to eliminate the oxygen level in the nitride coatings, which led to the harder films. It was suggested that due to the miscibility of Si, a ternary TiSiN solid solution was formed. Stronger (200) orientation of the TiN B1-NaCl crystals was associated with increased hardness of the coatings. In conclusion, this crystalline structure was preserved after incorporating Si.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Superhydrophobicity on transparent fluorinated ethylene propylene films with nano-protrusion morphology by Ar + O{sub 2} plasma etching: Study of the degradation in hydrophobicity after exposure to the environment

Fluorinated ethylene propylene (FEP) films were made superhydrophobic by Ar + O{sub 2} plasma etching process. Field emission scanning electron microscopy and atomic force microscopy studies of the plasma-treated FEP samples detected the presence of uniformly distributed nano-protrusions exhibiting a low surface roughness necessary for maintaining the transparency of the samples. In fact, optical transmittance measurements showed an improvement in the transparency of FEP samples after plasma treatment. The X-ray photoelectron spectroscopic analysis showed the presence of –CF{sub x}–O–CF{sub x}– (x = 1, 2, or 3) linkages in both untreated and plasma-treated samples which explains the hydrophilic nature (contact angle below 90{sup ∘}) of the untreated sample. Fourier transform infrared spectroscopy showed no changes in the bulk properties of the plasma-treated samples. Moreover, exposure to the environment caused the surfaces to lose their superhydrophobic property in an indefinite amount of time. This has been further studied through a water immersion experiment and explained through the wetting state transition from Cassie state to Wenzel state.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Influence of Ni-Cr substitution on the magnetic and electric properties of magnesium ferrite nanomaterials

Graphical abstract: Variation of saturation magnetization (M{sub S}) and magnetocrystalline anisotropy coefficient (K{sub 1}) with Ni-Cr content for Mg{sub 1-x}Ni{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x = 0.0-0.5). Highlights: Black-Right-Pointing-Pointer Mg{sub 1-x}Ni{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} are synthesized by novel PEG assisted microemulsion method. Black-Right-Pointing-Pointer High field regime of M-H loops are modeled using Law of Approach to saturation. Black-Right-Pointing-Pointer A considerable increase in the value of M{sub S} from 148 kA/m to 206 kA/m is achieved Black-Right-Pointing-Pointer {rho}{sup RT} enhanced to the order of 10{sup 9} {Omega}cm at potential operational range around 300 K. -- Abstract: The effect of variation of composition on the structural, morphological, magnetic and electric properties of Mg{sub 1-x}Ni{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x = 0.0-0.5) nanocrystallites is presented. The samples were prepared by novel polyethylene glycol (PEG) assisted microemulsion method with average crystallite size of 15-47 nm. The microstructure, chemical, and phase analyses of the samples were studied by the scanning electron microscopy (SEM), atomic force microscopy (AFM), energy dispersive X-ray fluorescence (ED-XRF), and X-ray diffraction (XRD). Compositional variation greatly affected the magnetic and structural properties. The high-field regimes of the magnetic loops are modelled using the Law of Approach (LOA) to saturation in order to extract information about their anisotropy and the saturation magnetization. Thermal demagnetization measurements are carried out using VSM and significant enhancement of the Curie temperature from 681 K to 832 K has been achieved by substitution of different contents of Ni-Cr. The dc-electrical resistivity ({rho}{sup RT}) at potential operational range around 300 K is increased from 7.5 Multiplication-Sign 10{sup 8} to 4.85 Multiplication-Sign 10{sup 9} {Omega}cm with the increase in Ni-Cr contents. Moreover, the results of the present study provide sufficient evidence to show that the electric and magnetic properties of Mg-ferrite have been improved significantly by substituting low contents of Ni-Cr.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Impact of annealing on the chemical structure and morphology of the thin-film CdTe/ZnO interface

To enable an understanding and optimization of the optoelectronic behavior of CdTe-ZnO nanocomposites, the morphological and chemical properties of annealed CdTe/ZnO interface structures were studied. For that purpose, CdTe layers of varying thickness (4–24 nm) were sputter-deposited on 100 nm-thick ZnO films on surface-oxidized Si(100) substrates. The morphological and chemical effects of annealing at 525 °C were investigated using X-ray Photoelectron Spectroscopy (XPS), X-ray-excited Auger electron spectroscopy, energy dispersive X-ray spectroscopy, scanning electron microscopy, and atomic force microscopy. We find a decrease of the Cd and Te surface concentration after annealing, parallel to an increase in Zn and O signals. While the as-deposited film surfaces show small grains (100 nm diameter) of CdTe on the ZnO surface, annealing induces a significant growth of these grains and separation into islands (with diameters as large as 1 μm). The compositional change at the surface is more pronounced for Cd than for Te, as evidenced using component peak fitting of the Cd and Te 3d XPS peaks. The modified Auger parameters of Cd and Te are also calculated to further elucidate the local chemical environment before and after annealing. Together, these results suggest the formation of tellurium and cadmium oxide species at the CdTe/ZnO interface upon annealing, which can create a barrier for charge carrier transport, and might allow for a deliberate modification of interface properties with suitably chosen thermal treatment parameters.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Layered-structural monoclinic–orthorhombic perovskite La{sub 2}Ti{sub 2}O{sub 7} to orthorhombic LaTiO{sub 3} phase transition and their microstructure characterization

The layered-structural ceramics, such as lanthanum titanate (La{sub 2}Ti{sub 2}O{sub 7}), have been known for their good temperature and low dielectric loss at microwave frequencies that make them good candidate materials for high frequency applications. However, few studies have been conducted on the synthesis optimization by sol gel reaction, in particular by acrylamide polymerization route. The interest in La{sub 2}Ti{sub 2}O{sub 7} ceramic has been greatly increased recently due to the effect of oriented grains. This anisotropy of the microstructure leads to anisotropy in dielectric, electrical and mechanical properties. In this study, grain oriented lanthanum titanate was produced by the sol–gel acrylamide polymerization route. The characterizations of the samples were achieved by thermal analysis, X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and transmission electron microscopy (TEM). X-ray diffraction indicates that the formation of monoclinic perovskite La{sub 2}Ti{sub 2}O{sub 7} nanocrystals is a necessary first step to obtain orthorhombic LaTiO{sub 3} nanocomposites (with space group Pbnm). In this work we identified that the monoclinic perovskite La{sub 2}Ti{sub 2}O{sub 7} with space group P2{sub 1} transforms its structure into one with the orthorhombic space group Cmc2{sub 1} at approximately 1073 K. The microstructure associated consisted of flaky monoclinic La{sub 2}Ti{sub 2}O{sub 7} nanocomposites in comparison with round-shaped LaTiO{sub 3} nanocomposites. - Highlights: • The flaky-like La{sub 2}Ti{sub 2}O{sub 7} compound was synthesized by sol–gel acrylamide route. • Simultaneous monitoring of the DTA and XRD with temperature was performed. • Phase transformation characterization of La{sub 2}Ti{sub 2}O{sub 7} has been carried out. • The variation of the La{sub 2}Ti{sub 2}O{sub 7} and LaTiO{sub 3} grain morphology has been compared.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Single orientation graphene synthesized on iridium thin films grown by molecular beam epitaxy

Heteroepitaxial iridium thin films were deposited on (0001) sapphire substrates by means of molecular beam epitaxy, and subsequently, one monolayer of graphene was synthesized by chemical vapor deposition. The influence of the growth parameters on the quality of the Ir films, as well as of graphene, was investigated systematically by means of low energy electron diffraction, x-ray reflectivity, x-ray diffraction, Auger electron spectroscopy, scanning electron microscopy, and atomic force microscopy. Our study reveals (111) oriented iridium films with high crystalline quality and extremely low surface roughness, on which the formation of large-area epitaxial graphene is achieved. The presence of defects, like dislocations, twins, and 30° rotated domains in the iridium films is also discussed. The coverage of graphene was found to be influenced by the presence of 30° rotated domains in the Ir films. Low iridium deposition rates suppress these rotated domains and an almost complete coverage of graphene was obtained. This synthesis route yields inexpensive, air-stable, and large-area graphene with a well-defined orientation, making it accessible to a wider community of researchers for numerous experiments or applications, including those which use destructive analysis techniques or irreversible processes. Moreover, this approach can be used to tune the structural quality of graphene, allowing a systematic study of the influence of defects in various processes like intercalation below graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Characterization of Cr-rich Cr-Sb multilayer films: Syntheses of a new metastable phase using modulated elemental reactants

The new metastable compound Cr{sub 1+x}Sb with x up to 0.6 has been prepared via a thin film approach using modulated elemental reactants and investigated by in-situ X-ray reflectivity, X-ray diffraction, differential scanning calorimetry, energy dispersive X-ray analysis as well as transmission electron microscopy and atomic force microscopy. The new Cr-rich antimonide crystallizes in a structure related to the Ni{sub 2}In-type structure, where the crystallographic position (1/3, 2/3, 3/4) is partially occupied by excess Cr. The elemental layers of the pristine material interdiffused significantly before Cr{sub 1+x}Sb crystallized. A change in the activation energy was observed for the diffusion process when crystal growth starts. First-principles electronic structure calculations provide insight into the structural stability, magnetic properties and resistivity of Cr{sub 1+x}Sb. - Graphical abstract: 1 amorphous multilayered film 2 interdiffused amorphous film 3 metastable crystalline phase 4 thermodynamic stable phase (and by-product). - Highlights: • Interdiffusion of amorphous Cr and Sb occurs before crystallization. • Crystallization of a new metastable phase Cr{sub 1.6}Sb in Ni{sub 2}In-type structure. • The new Cr-rich phase shows half-metallic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Localized Si enrichment in coherent self-assembled Ge islands grown by molecular beam epitaxy on (001)Si single crystal

Transmission electron microscopy (TEM), atomic force microscopy, and Rutherford backscattering spectrometry (RBS) have been used to investigate the morphology, structure, and composition of self-assembled Ge islands grown on Si (001) substrates by molecular beam epitaxy (MBE) at different temperatures. Increasing the temperature from 550 Degree-Sign C to 700 Degree-Sign C causes progressive size and shape uniformity, accompanied by enhanced Si-Ge intermixing within the islands and their wetting layer. Elemental maps obtained by energy filtered-TEM (EF-TEM) clearly show pronounced Si concentration not only in correspondence of island base perimeters, but also along their curved surface boundaries. This phenomenon is strengthened by an increase of the growth temperature, being practically negligible at 550 Degree-Sign C, while very remarkable already at 650 Degree-Sign C. The resulting island shape is affected, since this localized Si enrichment not only provides strain relief near their highly stressed base perimeters but it also influences the cluster surface energy by effective alloying, so as to form Si-enriched SiGe interfaces. Further increase to 700 Degree-Sign C causes a shape transition where more homogenous Si-Ge concentration profiles are observed. The crucial role played by local 'flattened' alloyed clusters, similar to truncated pyramids with larger bases and enhanced Si enrichment at coherently stressed interfaces, has been further clarified by EF-TEM analysis of a multi-layered Ge/Si structure containing stacked Ge islands grown at 650 Degree-Sign C. Sharp accumulation of Si has been here observed not only in proximity of the uncapped island surface in the topmost layer but also at the buried Ge/Si interfaces and even in the core of such capped Ge islands.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Atmospheric Pressure Plasma CVD of Amorphous Hydrogenated Silicon Carbonitride (a-SiCN:H) Films Using Triethylsilane and Nitrogen

Amorphous hydrogenated silicon carbonitride (a-SiCN:H) thin films are synthesized by atmospheric pressure plasma enhanced chemical vapor (AP-PECVD) deposition using the Surfx Atomflow{trademark} 250D APPJ source with triethylsilane (HSiEt{sub 3}, TES) and nitrogen as the precursor and the reactive gases, respectively. The effect of the substrate temperature (T{sub s}) on the growth characteristics and the properties of a-SiCN:H films was evaluated. The properties of the films were investigated via scanning electron microscopy (SEM), atomic force microscopy (AFM) for surface morphological analyses, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) for chemical and compositional analyses; spectroscopic ellipsometry for optical properties and thickness determination and nanoindentation to determine the mechanical properties of the a-SiCN:H films. Films deposited at low T{sub s} depict organic like features, while the films deposited at high T{sub s} depict ceramic like features. FTIR and XPS studies reveal that an increases in T{sub s} helps in the elimination of organic moieties and incorporation of nitrogen in the film. Films deposited at T{sub s} of 425 C have an index of refraction (n) of 1.84 and hardness (H) of 14.8 GPa. A decrease in the deposition rate between T{sub s} of 25 and 250 C and increase in deposition rate between T{sub s} of 250 and 425 C indicate that the growth of a-SiCN:H films at lower T{sub s} are surface reaction controlled, while at high temperatures film growth is mass-transport controlled. Based on the experimental results, a potential route for film growth is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Microstructural evolution of P92 ferritic/martensitic steel under Ar{sup +} ion irradiation at elevated temperature

Irradiation damage in P92 ferritic/martensitic steel irradiated by Ar{sup +} ion beams to 7 and 12 dpa at elevated temperatures of 290 Degree-Sign C, 390 Degree-Sign C and 550 Degree-Sign C has been investigated by transmission electron microscopy, scanning electron microscopy and atomic force microscopy. The precipitate periphery (the matrix/carbide interface) was amorphized only at 290 Degree-Sign C, while higher irradiation temperature could prevent the amorphization. The formation of the small re-precipitates occurred at 290 Degree-Sign C after irradiation to 12 dpa. With the increase of irradiation temperature and dose, the phenomenon of re-precipitation became more severe. The voids induced by irradiation were observed after irradiation to 7 dpa at 550 Degree-Sign C, showing that high irradiation temperature ({>=} 550 Degree-Sign C) was a crucial factor which promoted the irradiation swelling. Energy dispersive X-ray analysis revealed that segregation of Cr and W in the voids occurred under irradiation, which may influence mechanical properties of P92 F/M steel. - Graphical Abstract: High density of small voids, about 2.5 nm in diameter, was observed after irradiation to 12 dpa at 550 Degree-Sign C, which was shown in panel a (TEM micrograph). As shown in panel b (SEM image), a large number of nanometer-sized hillocks were formed in the surface irradiated at 550 Degree-Sign C, and the mean size was {approx} 30 nm. The formation of the nanometer-sized hillocks might be due to the voids that appeared as shown in TEM images (panel a). High irradiation temperature ({>=} 550 Degree-Sign C) was a crucial factor for the formation of void swelling. Highlights: Black-Right-Pointing-Pointer Small carbides re-precipitated in P92 matrix irradiated to 12 dpa at 290 Degree-Sign C. Black-Right-Pointing-Pointer High density of voids was observed at 550 Degree-Sign C. Black-Right-Pointing-Pointer Segregation of Cr and W in voids occurred under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Isopeptide bonds of the major pilin protein BcpA influence pilus structure and bundle formation on the surface of Bacillus cereus

Bacillus cereus strains elaborate pili on their surface using a mechanism of sortase-mediated cross-linking of major and minor pilus components. Here we used a combination of electron microscopy and atomic force microscopy to visualize these structures. Pili occur as single, double or higher order assemblies of filaments formed from monomers of the major pilin, BcpA, capped by the minor pilin, BcpB. Previous studies demonstrated that within assembled pili, four domains of BcpA -- CNA{sub 1}, CNA{sub 2}, XNA and CNA{sub 3} -- each acquire intramolecular lysine-asparagine isopeptide bonds formed via catalytic glutamic acid or aspartic acid residues. Here we showed that mutants unable to form the intramolecular isopeptide bonds in the CNA2 or CNA3 domains retain the ability to form pilus bundles. A mutant lacking the CNA{sub 1} isopeptide bond assembled deformed pilin subunits that failed to associate as bundles. X-ray crystallography revealed that the BcpA variant Asp{sup 312}Ala, lacking an aspartyl catalyst, did not generate the isopeptide bond within the jelly-roll structure of XNA. The Asp{sup 312}Ala mutant was also unable to form bundles and promoted the assembly of deformed pili. Thus, structural integrity of the CNA{sub 1} and XNA domains are determinants for the association of pili into higher order bundle structures and determine native pilus structure.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2010

Preparation of ZnO:CeO{sub 2-x} thin films by AP-MOCVD: Structural and optical properties

The growth of columnar CeO{sub 2}, ZnO and ZnO:CeO{sub 2-x} films on quartz and AA6066 aluminum alloy substrates by economic atmospheric pressure metal-organic chemical vapor deposition (AP-MOCVD) is reported. A novel and efficient combination of metal acetylacetonate precursors as well as mild operating conditions were used in the deposition process. The correlation among crystallinity, surface morphology and optical properties of the as-prepared films was analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), transmission electron microscopy (TEM) and UV-vis spectroscopy. The synthesized films showed different crystallographic orientations depending on the ZnO and CeO{sub 2} lattice mismatch, cerium content and growth rate. The CeO{sub 2} films synthesized in this work showed plate-like compact structures as a result of the growth process typical of CVD. Both pure and ZnO:CeO{sub 2-x} films were obtained with a hexagonal structure and highly preferred orientation with the c-axis perpendicular to both substrates under the optimal deposition conditions. The microstructure was modified from dense, short round columns to round structures with cavities ('rose-flower-like' structures) and the typical ZnO morphology by controlling the cerium doping the film and substrate nature. High optical transmittance (>87%) was observed in the pure ZnO films. As for the ZnO:CeO{sub 2-x} films, the optical transmission was decreased and the UV absorption increased, which subsequently was affected by an increase in cerium content. This paper assesses the feasibility of using ZnO:CeO{sub 2-x} thin films as UV-absorbers in industrial applications. - Graphical abstract: TEM micrographs and their corresponding SAED pattern obtained for the as-deposited ZnO-CeO{sub 2-x} thin films for a Zn/Ce metallic ratio 16:9.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Achieving the 1D Atomic Chain Limit in Van der Waals Crystals

Experiments with graphene have demonstrated that 2D van der Waals materials can be stable, robust, and efficiently manipulated at the level of individual atomic planes. However, the stability and manipulation of 1D van der Waals materials and individual atomic chains remains elusive. Here, in this work, the ability to exfoliate and process two representative van der Waals materials containing 1D motifs, namely MoI 3 and Ta 2 Se 8 I, at the scale of individual atomic chains is demonstrated. High‐resolution transmission electron microscopy and atomic force microscopy studies confirm the presence of stable individual atomic chains of MoI 3 at room temperature. It is further shown that 1D van der Waals materials with low exfoliation energy, such as Ta 2 Se 8 I, can be processed with electron beams to achieve suspended individual atomic chains. Ab initio calculations corroborate the findings regarding the cleavage energies and the thermodynamic stability of individual atomic chains in these 1D van der Waals materials. These results demonstrate that the top‐down approach in material processing can be extended to the scale of individual chains.

1D materials↗
DOE OSTI2016

Study on aggregation and electric properties in the micro-region of functionalized dithieno[2, 3-b: 3′, 2′-d]thiophene (DTT) oligomers

Three kinds of 2,5,-diphenyl-dithienol[2, 3-b: 3′, 2′-d]thiophene (DP-DTT), 2,5,-distyryl-dithienol[2, 3-b: 3′, 2′-d]thiophene (DEP-DTT) and 2,5,-thienyl-dithienol[2, 3-b: 3′, 2′-d]thiophene (DET-DTT) micro-region structure and electronic properties were studied. Thin films of these functionalized DTT oligomers were prepared in a one-step drop-casting deposition onto highly oriented pyrolytic graphite substrates. The surface structure of these films was characterized by atomic force microscopy (AFM). Conducting probe atomic force microscope (C-AFM) and Kelvin probe force microscope (KFM) were both used to characterize the electronic transport behavior and surface potential distribution. The substituents of DTT oligomers can greatly affect their aggregation and the hopping conductance mechanism was used to explain the Au-DTTs-HOPG junctions. KFM investigation revealed that these oligomers with different substituents have different highest occupied molecular orbital energy levels. The corresponding theoretical analysis reveals similar result to KFM characterization. The I-V results indicated that the aggregates of molecules were the dominating factor to their micro-region electrical transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Defect chemistry of Eu dopants in NaI scintillators studied by atomically resolved force microscopy

Activator impurities and their distribution in the host lattice play a key role in scintillation phenomena. In this work a combination of cross-sectional noncontact atomic force microscopy, x-ray photoelectron spectroscopy, and density-functional theory were used to study the distribution of Eu 2+ dopants in a NaI scintillator activated by 3% EuI 2 . A variety of Eu-based structures were determined in crystals subjected to different postgrowth treatments. Transparent crystals with good scintillation properties contained mainly small precipitates with a cubic crystal structure and a size below 4 nm. Upon annealing, Eu segregated toward the surface, resulting in the formation of an ordered hexagonal overlayer with a EuI 2 composition and a pronounced, unidirectional moiré pattern. Crystals with poor optical transparency showed a significant degree of mosaicity and the presence of precipitates. All observed crystals contained a very low concentration of Eu dopants present as isolated point defects; most of the europium was incorporated in larger structures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗