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Results for “HOLE MOBILITY”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Annealing effect on donor-acceptor interface and its impact on the performance of organic photovoltaic devices based on PSiF-DBT copolymer and C{sub 60}

In this work, poly[2,7-(9,9-bis(2-ethylhexyl)-dibenzosilole)-alt-4,7-bis(thiophen-2-yl) benzo-2,1,3-thiadiazole] (PSiF-DBT) was used as active layer in bilayer solar cell with C{sub 60} as electron acceptor. As cast devices already show reasonable power conversion efficiency (PCE) that increases to 4% upon annealing at 100 °C. Space charge limited measurements of the hole mobility (μ) in PSiF-DBT give μ ∼ 1.0 × 10{sup −4} cm{sup 2}/(V s) which does not depend on the temperature of the annealing treatment. Moreover, positron annihilation spectroscopy experiments revealed that PSiF-DBT films are well stacked even without the thermal treatment. The variations in the transport of holes upon annealing are then small. As a consequence, the PCE rise was mainly induced by the increase of the polymer surface roughness that leads to a more effective interface for exciton dissociation at the PSiF-DBT/fullerene heterojunction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Single Crystal Microwires of p -DTS(FBTTh 2 ) 2 and Their Use in the Fabrication of Field-Effect Transistors and Photodetectors

Single crystal microwires of a well–studied organic semiconductor used in organic solar cells, namely p –DTS(FBTTh 2 ) 2 , are prepared via a self–assembly method in solution. The high level of intermolecular organization in the single crystals facilitates migration of charges, relative to solution–processed films, and provides insight into the intrinsic charge transport properties of p –DTS(FBTTh 2 ) 2 . Field–effect transistors based on the microwires can achieve hole mobilities on the order of ≈1.8 cm 2 V –1 s –1 . Furthermore, these microwires show photoresponsive electrical characteristics and can act as photoswitches, with switch ratios over 1000. Here, these experimental results are interpreted using theoretical simulations using an atomistic density functional theory approach. Based on the lattice organization, intermolecular couplings and reorganization energies are calculated, and hole mobilities for comparison with experimental measurements are further estimated. These results demonstrate a unique example of the optoelectronic applications of p –DTS(FBTTh 2 ) 2 microwires.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chalcogenide Perovskite YScS 3 as a Potential p-Type Transparent Conducting Material

Transparent conducting materials (TCMs) have been widely used in optoelectronic applications such as touchscreens, flat panel displays and thin film solar cells. These applications of TCMs are currently dominated by n-type doped oxides. High-performance p-type TCMs are still lacking due to their low hole mobility or p-type doping bottleneck, which impedes efficient device design and novel applications such as transparent electronics. Here, based on first-principles calculations, we propose chalcogenide perovskite YScS 3 as a promising p-type TCM. According to our calculations, its optical absorption onset is above 3 eV, which allows transparency to visible light. Its hole conductivity effective mass is 0.48m 0 , which is among the smallest in p-type TCMs, suggesting enhanced hole mobility. It could be doped to p-type by group-II elements on cation sites, all of which yield shallow acceptors. Here, combining these properties, YScS 3 holds great promise to enhancing the performance of p-type TCMs toward their n-type counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

(NH 3 (CH 2 ) 7 NH 3 ) 2 Sn 3 I 10 , a Vacancy-Ordered Three-Dimensional Tin(II) Perovskite-Derived Semiconductor

Ordering vacancies in hybrid Sn(II) halide semiconductors provides a strategy for preventing uncontrolled oxidation and formation of mobile holes. In this study, we report the structure and optical and electronic properties of (NH 3 (CH 2 ) 7 NH 3 ) 2 Sn 3 I 10 , a vacancy-ordered perovskite derivative with three-dimensional inorganic connectivity. The crystal structure resembles that of a Dion–Jacobson layered perovskite derivative, but with [SnI 5 ] square pyramids bridging the layers. UV–vis diffuse reflectance spectroscopy reveals a sharp onset of light absorption at 1.86(1) eV with the photoluminescence emission maximum at 1.90(1) eV. However, the maximum excitation occurs from 3.42 to 3.81 eV (325 to 370 nm), revealing a significant Stokes shift of 1.3 eV. The electronic properties determined from dark and time-resolved microwave conductivity measurements reveal a minimum carrier mobility of 4.3 × 10 –2 cm 2 V –1 s –1 and a maximum carrier density of 5.96 × 10 16 cm –3 , a uniquely low value for a hybrid Sn(II) halide semiconductor. The transport behavior in combination with first-principles calculations of the electronic band structure and dielectric permittivity suggest polaron-mediated electronic transport, yet the photogenerated carriers have a fast and fluence-dependent nonradiative recombination rate, suggestive of localized “defect-like” states at the band edge. The observed photoluminescence is most consistent with single-ion-like behavior of an asymmetric Sn(II) environment. Together, these results suggest that defect ordering presents a strategy for the reduction of mobile charge carriers at equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Anomalous spectral dependence of optical polarization and its impact on spin detection in InGaAs/GaAs quantum dots

We show that circularly polarized emission light from InGaAs/GaAs quantum dot (QD) ensembles under optical spin injection from an adjacent GaAs layer can switch its helicity depending on emission wavelengths and optical excitation density. We attribute this anomalous behavior to simultaneous contributions from both positive and negative trions and a lower number of photo-excited holes than electrons being injected into the QDs due to trapping of holes at ionized acceptors and a lower hole mobility. Our results call for caution in reading out electron spin polarization by optical polarization of the QD ensembles and also provide a guideline in improving efficiency of spin light emitting devices that utilize QDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Sn-based Ge/Ge{sub 0.975}Sn{sub 0.025}/Ge p-i-n photodetector operated with back-side illumination

We report an investigation of a GeSn-based p-i-n photodetector grown on a Ge wafer that collects light signal from the back of the wafer. Temperature dependent absorption measurements performed over a wide temperature range (300 K down to 25 K) show that (a) absorption starts at the indirect bandgap of the active GeSn layer and continues up to the direct bandgap of the Ge wafer, and (b) the peak responsivity increases rapidly at first with decreasing temperature, then increases more slowly, followed by a decrease at the lower temperatures. The maximum responsivity happens at 125 K, which can easily be achieved with the use of liquid nitrogen. The temperature dependence of the photocurrent is analyzed by taking into consideration of the temperature dependence of the electron and hole mobility in the active layer, and the analysis result is in reasonable agreement with the data in the temperature regime where the rapid increase occurs. This investigation demonstrates the feasibility of a GeSn-based photodiode that can be operated with back-side illumination for applications in image sensing systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Enhancement of the electrical characteristics of metal-free phthalocyanine films using cold isostatic pressing

Spatial gaps between grains and other grains, substrates, or electrodes in organic electronic devices are one of the causes of the reduction in the electrical characteristics. In this study, we demonstrate that cold isostatic pressing (CIP) is an effective method to crush the gaps and enhance the electrical characteristics. CIP of metal-free phthalocyanine (H{sub 2}PC) films induced a decrease in the film thickness by 34%–40% because of the gap crush. The connection of smaller grains into a larger grain and planarization of the film surface were also observed in the CIP film. The crystal axes of the H{sub 2}PC crystallites were rearranged from the a-axis to the c-axis of the α-phase crystal structure in a direction perpendicular to the substrate by CIP, indicating favorable hole injection and transport in this direction because of a better overlap of π orbitals. Thermally stimulated current measurements showed that deep hole traps disappeared and the total hole-trap density decreased after CIP. These CIP-induced changes of the film thicknesses, crystal axes and the hole traps lead to a marked increase in the hole mobility of the H{sub 2}PC films from 2.0 × 10{sup −7} to 4.0 × 10{sup −4} cm{sup 2}/V s by 2000 times in the perpendicular direction. We believe that these findings are important for unveiling the underlying carrier injection and transport mechanisms of organic films and for enhancing the performance of future organic electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Marked Consequences of Systematic Oligothiophene Catenation in Thieno[3,4- c ]pyrrole-4,6-dione and Bithiopheneimide Photovoltaic Copolymers

As effective building blocks for high-mobility transistor polymers, oligothiophenes are receiving attention for polymer solar cells (PSCs) because the resulting polymers can effectively suppress charge recombination. In this work we investigate two series of in-chain donor–acceptor copolymers, PTPDnT and PBTInT, based on thieno[3,4-c]pyrrole-4,6-dione (TPD) or bithiopheneimide (BTI) as electron acceptor units, respectively, and oligothiophenes (nTs) as donor counits, for high-performance PSCs. Intramolecular S···O interaction leads to more planar TPD polymer backbones, however backbone torsion yields greater open-circuit voltages for BTI polymers. Thiophene addition progressively raises polymer HOMOs but marginally affects their band gaps. FT-Raman spectra indicate that PTPDnT and PBTInT conjugation lengths scale with nT catenation up to $n$ = 3 and then saturate for longer oligomer. Furthermore, the effects of oligothiophene alkylation position are explored, revealing that the alkylation pattern greatly affects film morphology and PSC performance. The 3T with “outward” alkylation in PTPD3T and PBTI3T affords optimal $π$-conjugation, close stacking, long-range order, and high hole mobilities (0.1 cm 2 /(V s)). These characteristics contribute to the exceptional ~80% fill factors for PTPD3T-based PSCs with PCE = 7.7%. The results demonstrate that 3T is the optimal donor unit among nTs ($n$ = 1–4) for photovoltaic polymers. Grazing incidence wide-angle X-ray scattering, transmission electron microscopy, and time-resolved microwave conductivity measurements reveal that the terthiophene-based PTPD3T blend maintains high crystallinity with appreciable local mobility and long charge carrier lifetime. These results provide fundamental materials structure-device performance correlations and suggest guidelines for designing oligothiophene-based polymers with optimal thiophene catenation and appropriate alkylation pattern to maximize PSC performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A computational study of the electronic properties of one-dimensional armchair phosphorene nanotubes

We have performed a comprehensive first-principle computational study of the electronic properties of one-dimensional phosphorene nanotubes (PNTs), and the strain effect on the mechanical and electrical properties of PNTs, including the elastic modulus, energy bandstructure, and carrier effective mass. The study has demonstrated that the armchair PNTs have semiconducting properties along the axial direction and the carrier mobility can be significantly improved by compressive strain. The hole mobility increases from 40.7 cm{sup 2}/V s to 197.0 cm{sup 2}/V s as the compressive strain increases to −5% at room temperature. The investigations of size effect on armchair PNTs indicated that the conductance increases significantly as the increasing diameter. Overall, this study indicated that the PNTs have very attractive electronic properties for future application in nanomaterials and devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Hall and Seebeck Effects in Bismuth Thin Films on Mica Substrates in the Temperature Range of 77–300 K

The effects of film thickness and block size on the Hall and Seebeck effects in bismuth films on mica substrates are analyzed using experimental data. A preferential decrease in the electron contribution with a decrease in the film thickness and a preferential decrease in the hole contribution with a decrease in the block size are established. The Hall and Seebeck coefficients are calculated using the classical size effect with regard to carrier scattering at block boundaries and anisotropy of the properties of carriers. In the calculation, the electron and hole mobility components and their concentration in a bismuth single crystal are used and the crystallographic orientation of the film crystal are taken into account. The results of the calculation are in good agreement with the experimental data. It is concluded that the value and sign of the Hall and Seebeck coefficients in bismuth films are determined by the competition of the classical size effect and scattering at block boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Inkjet printed ambipolar transistors and inverters based on carbon nanotube/zinc tin oxide heterostructures

We report ambipolar field-effect transistors (FETs) consisting of inkjet printed semiconductor bilayer heterostructures utilizing semiconducting single-walled carbon nanotubes (SWCNTs) and amorphous zinc tin oxide (ZTO). The bilayer structure allows for electron transport to occur principally in the amorphous oxide layer and hole transport to occur exclusively in the SWCNT layer. This results in balanced electron and hole mobilities exceeding 2 cm{sup 2} V{sup −1} s{sup −1} at low operating voltages (<5 V) in air. We further show that the SWCNT-ZTO hybrid ambipolar FETs can be integrated into functional inverter circuits that display high peak gain (>10). This work provides a pathway for realizing solution processable, inkjet printable, large area electronic devices, and systems based on SWCNT-amorphous oxide heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Space charge limited conduction in ultrathin PbS quantum dot solid diodes

As a simple and direct characterization of carrier transport in nanocrystal quantum dot (NQD) solids, current-voltage characterization of ultrathin diodes is proposed. We found the space charge limited conduction (SCLC) behavior in ultrathin PbS NQD diodes with active layer thickness half of the full depletion width; and extracted hole concentrations in the order of 10{sup 15} cm{sup −3}, hole mobilities from 10{sup −4} to 10{sup −5} cm{sup 2}/Vs, trap energy depths varying from 140 meV to 200 meV, and volume trap density around 10{sup 17} cm{sup −3} for thin films with NQDs of diameters 3.3 and 3.6 nm, respectively. We further discuss the validity of applying SCLC to the NQD solids based diodes and the implications of the extracted parameters extensively. Proposed characterization method here is a direct measure of carrier transport in solar cell structures which could provide exact directions in NQD solids based solar cell fabrication and modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Molecular beam epitaxy growth of high quality p-doped SnS van der Waals epitaxy on a graphene buffer layer

We report on the systematic investigation of optoelectronic properties of tin (IV) sulfide (SnS) van der Waals epitaxies (vdWEs) grown by molecular beam epitaxy (MBE) technique. Energy band simulation using commercial CASTEP code indicates that SnS has an indirect bandgap of size 0.982 eV. Furthermore, our simulation shows that elemental Cu can be used as a p-type dopant for the material. Growth of high quality SnS thin films is accomplished by MBE technique using graphene as the buffer layer. We observed significant reduction in the rocking curve FWHM over the existing published values. Crystallite size in the range of 2-3 {mu}m is observed which is also significantly better than the existing results. Measurement of the absorption coefficient, {alpha}, is performed using a Hitachi U-4100 Spectrophotometer system which demonstrate large values of {alpha} of the order of 10{sup 4} cm{sup -1}. Sharp cutoff in the values of {alpha}, as a function of energy, is observed for the films grown using a graphene buffer layer indicating low concentration of localized states in the bandgap. Cu-doping is achieved by co-evaporation technique. It is demonstrated that the hole concentration of the films can be controlled between 10{sup 16} cm{sup -3} and 5 x 10{sup 17}cm{sup -3} by varying the temperature of the Cu K-cell. Hole mobility as high as 81 cm{sup 2}V{sup -1}s{sup -1} is observed for SnS films on graphene/GaAs(100) substrates. The improvements in the physical properties of the films are attributed to the unique layered structure and chemically saturated bonds at the surface for both SnS and the graphene buffer layer. Consequently, the interaction between the SnS thin films and the graphene buffer layer is dominated by van der Waals force and structural defects at the interface, such as dangling bonds or dislocations, are substantially reduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Atomic composition and electrical characteristics of epitaxial CVD diamond layers doped with boron

The results of analysis of the atomic composition, doping level, and hole mobility in epitaxial diamond layers when doped with boron are reported. The layers are produced by chemical-vapor deposition. The possibilities of uniform doping with boron to a level in the range 5 × 10{sup 17} to ~10{sup 20} at cm{sup –3} and of δ doping to the surface concentration (0.3–5) × 10{sup 13} at cm{sup –3} are shown. The conditions for precision ion etching of the structures are determined, and barrier and ohmic contacts to the layers are formed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Synthesis of Host‐Guest Hematite Photoelectrodes for Solar Water Splitting

Abstract Hematite (α‐Fe 2 O 3 ) is a promising semiconductor for photoelectrochemical (PEC) water splitting, due to its abundance, low‐cost and excellent stability. However, the efficiency of α‐Fe 2 O 3 photoelectrodes has been limited by its low hole mobility and fast electron‐hole recombination. Host‐guest architectures have emerged as a suitable design, which involves the use of a nanostructured collector for high solar absorption while maintaining an ultrathin absorber layer for better charge transport. In this study, a thin mesoporous SiO 2 host template coated with a conductive thin layer of TiO 2 was optimized to support the α‐Fe 2 O 3 film. The α‐Fe 2 O 3 thin layer was deposited by spray pyrolysis and then coated with a FeNiOOH co‐catalyst. A photocurrent improvement of ca . 85% over planar α‐Fe 2 O 3 thin film reference was registered demonstrating the potential of this host‐guest approach.

Francisco, Filipe↗
DOE OSTI2020

Modeling the Effect of Film Morphology on the Performance of an OLED Device

Organic Light Emitting Diode (OLED) technology is replacing the liquid crystal displays (LCD) in cell phones and is also expected to impact television displays in the future. Dow has an active OLED research program. To complement and ultimately drive this effort, it is necessary to develop efficient computational screening tools for selection and optimization of target molecules. To this end we sought to identify and expand on existing models used by Dow that can better predict the mobility of electrons and holes in organic materials. We focused on N,N'- bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPD), frequently used in academic studies of organic light-emitting diodes; we also studied 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl (CBP), tris(4-carbazoyl-9-ylphenyl)amine (TCTA), and bathophenanthroline (BPhen). We developed a workflow, using a combination of molecular dynamics and quantum chemistry calculations, to predict trends in the electronic structure that correlate with measured electron and hole mobilities of small molecule materials such as NPD for OLEDs, comparing with measurements in the literature and at Dow. This work comprised a first step toward predictive charge carrier mobilities in small-molecule electronic materials with complex morphologies.

47 OTHER INSTRUMENTATION↗