Effect of chemisorbed oxygen on the electrical conductivity of Zn-doped polycrystalline SnO sub 2.
Chemisorbed oxygen effect on electrical conductivity of zinc doped polycrystalline tin oxides
Kohnke, E. E.↗
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Semiconductor-to-Metal Transition and Quasiparticle Renormalization in Doped Graphene Nanoribbons
A semiconductor-to-metal transition in N = 7 armchair graphene nanoribbons causes drastic changes in its electron and phonon system. In this paper, by using angle-resolved photoemission spectroscopy of lithium-doped graphene nanoribbons, a quasiparticle band gap renormalization from 2.4 to 2.1 eV is observed. Reaching high doping levels (0.05 electrons per atom), it is found that the effective mass of the conduction band carriers increases to a value equal to the free electron mass. This giant increase in the effective mass by doping is a means to enhance the density of states at the Fermi level which can have palpable impact on the transport and optical properties. Electron doping also reduces the Raman intensity by one order of magnitude, and results in relatively small (4 cm -1 ) hardening of the G phonon and softening of the D phonon. This suggests the importance of both lattice expansion and dynamic effects. Finally, the present work highlights that doping of a semiconducting 1D system is strikingly different from its 2D or 3D counterparts and introduces doped graphene nanoribbons as a new tunable quantum material with high potential for basic research and applications.
36 MATERIALS SCIENCE↗
Ni and Se co-doping increases the power factor and thermoelectric performance of CoSbS
In this paper, we present a new investigation on paracostibite (CoSbS), a potential thermoelectric material for power generation in the intermediate temperature range (700–900 K) consisting of earth abundant elements. We report an improved synthesis of single phase materials of Co 1–x Ni x SbS 1–y Se y (x = 0–0.07, y = 0–0.09) using vacuum melting and annealing followed by SPS processing. The effects of Ni and Se co-doping on the electronic and thermal transport properties of CoSbS were investigated. Doping with Ni on the Co site increases the carrier concentration and moves the Fermi level deep into the conduction band, producing an enhanced power factor. First-principles electronic band structure calculations indicate a multi valley nature of the conduction band where Ni doping leads to n-type behaviour and a sharp increase of the density of states effective mass, enhancing the Seebeck coefficient. Unlike the Ni doping which has little effect on thermal transport, alloying Se on the S site intensifies the alloying scattering resulting in a lower lattice thermal conductivity of 2.4 W m –1 K –1 at 900 K for Co 0.93 Ni 0.07 SbS 0.93 Se 0.07 . Alloying Se on the S site of the structure further boosts the power factor to 22 μW cm –1 K –2 and leads to a maximum ZT of 0.58 at 900 K, which is the best ZT value achieved in the system.
36 MATERIALS SCIENCE↗
Ultrafast exciton and trion dynamics in highly 𝑛-doped MoS 2 monolayers: Many-body effects
Understanding many-body interactions of excitons and charge carriers in monolayer semiconductors is crucial for tuning their unique optical properties and optimizing their performance in optoelectronic devices. However, the sensitivity of these atomically thin semiconductors to doping, defects, and strain–arising from synthesis, substrate, and environmental conditions–hinders consistent observation of many-body effects. In this work, we employed linear and ultrafast transient optical absorption spectroscopy to investigate the influence of background doping on exciton many-body interactions in MoS 2 monolayers. Using reversible molecular physisorption gating, we achieved a high background doping density of 4.9 × 10 13 cm −2 in an argon environment, which is significantly higher than those attainable with conventional electrical gating. Our results reveal a photoinduced 𝐴-exciton resonance redshift, attributed to band-gap renormalization at a low background-doping density of 4.3 × 10 12 cm −2 in an air environment, transitioning to a blueshift at a high background-doping density of 4.9 × 10 13 cm −2 due to dominant Pauli blocking effects and vertical excitation shifts. We further observed transient energy splitting between free-exciton and -trion states up to 57 meV due to exciton-electron interactions. The ultrafast spectroscopy further revealed exciton and trion dynamics, including fast energy splitting of exciton and trion resonances within 1 picosecond (ps) followed by a rapid decay having a lifetime of ∼5.4 ps. Furthermore, our results demonstrate the critical role of background-doping conditions in tuning many-body interactions and quasiparticle dynamics in 2D semiconductors, providing valuable insights for future device design and material engineering.
Doped semiconductors↗
Mg Doped CuCrO2 as Efficient Hole Transport Layers for Organic and Perovskite Solar Cells
The electrical and optical properties of the hole transport layer (HTL) are critical for organic and halide perovskite solar cell (OSC and PSC, respectively) performance. In this work, we studied the effect of Mg doping on CuCrO2 (CCO) nanoparticles and their performance as HTLs in OSCs and PSCs. CCO and Mg doped CCO (Mg:CCO) nanoparticles were hydrothermally synthesized. The nanoparticles were characterized by various experimental techniques to study the effect of Mg doping on structural, chemical, morphological, optical, and electronic properties of CCO. We found that Mg doping increases work function and decreases particle size. We demonstrate CCO and Mg:CCO as efficient HTLs in a variety of OSCs, including the first demonstration of a non-fullerene acceptor bulk heterojunction, and CH3NH3PbI3 PSCs. A small improvement of average short-circuit current density with Mg doping was found in all systems.
14 SOLAR ENERGY↗
Modeling of Micro-Hardness in the Au-Doped YBCO Bulk Superconductors
In this study, in order to investigate the effect of Au doping on mechanical properties of YBCO, Au-doped (from x = 1 wt% to x = 20 wt%) and pure YBa{sub 2}Cu{sub 3}O{sub 7-x} samples were prepared by standard solid-state reaction method. The indentation load versus diagonal length of the samples under various indentation loads in the range of 0.245–2.940 N is measured. The micro-indentation measurements showed that the load-dependent micro-hardness value for Au-doped samples is lower in comparison with that of the pure sample. The values of the hardness are found to be load and Au content-dependent. For each sample, the reverse indentation size effect (RISE) is observed in which micro-hardness value increased with increasing the load. In addition, we extract the load-independent (true) micro-hardness using Meyer’s law, Kick’s law, proportional specimen resistance, modified proportional specimen resistance, the Hays-Kendall, and the indentation-induced cracking (IIC) models and compare the true hardness with the apparent hardness. Among the investigated models, IIC model is determined to be the most successful one describing the mechanical properties of our samples.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Doping as a tuning mechanism for magnetothermoelectric effects to improve z T in polycrystalline NbP
Weyl semimetals combine topological and semimetallic effects, making them candidates for interesting and effective thermoelectric transport properties. Here, we present experimental results on polycrystalline NbP, demonstrating the simultaneous existence of a large Nernst effect and a large magneto-Seebeck effect, which is typically not observed in a single material at the same temperature. We compare transport results from two polycrystalline samples of NbP with previously published work, observing a shift in the temperature at which the maximum Nernst and magneto-Seebeck thermopowers occur, while still maintaining thermopowers of similar magnitude. Theoretical modeling shows how doping strongly alters both the Seebeck and Nernst magneto-thermopowers by shifting the temperature-dependent chemical potential, and the corresponding calculations provide a consistent interpretation of our results. Thus, we offer doping as a tuning mechanism for shifting magneto-thermoelectric effects to temperatures appropriate for device applications, improving zT at desirable operating temperatures. Furthermore, the simultaneous presence of both a large Nernst and magneto-Seebeck thermopower is uncommon and offers unique device advantages if the thermopowers are used additively. Finally, we also propose a unique thermoelectric device which would collectively harness the large Nernst and magneto-Seebeck thermopowers to greatly enhance the output and zT of conventional thermoelectric devices.
30 DIRECT ENERGY CONVERSION↗
The effect on soot and its gas precursors of doping ethylene with 2,2,4,6,6-pentamethyl-heptane in the nitrogen-fuel stream of a laminar non-premixed Planar Mixing Layer Flame (PMLF)
Synthetic Aviation Turbine Fuels (SATFs) are promising for reducing soot emissions from the aviation sector and diversifying Jet Fuel (JF) sources. Accurately predicting the combustion and emissions behavior of SATFs (and other JFs) necessitates robust experimental databases to elucidate the chemistry of long-chain iso-paraffins, which can compose up to two-thirds of SATF blends and whose behavior is considered to be well-represented by that of iso-dodecane isomers. Here, this study characterizes two laminar non-premixed Planar Mixing Layer Flames (PMLFs) with mild soot loads fueled by nitrogen-diluted ethylene, pure and doped with 2,2,4,6,6-pentamethyl-heptane, respectively. The two PMLFs have the same stoichiometric mixture fraction and total hydrocarbon mole fraction in the fuel stream (X F,F =X C2H4,F +X C12H26,F = 0.260), resulting in nearly the same maximum temperature (T max ≈1800 K) and simple identification of the effects of doping. Importantly, any horizontal PMLF cross-section has a self-similar structure that can be modeled as an equivalent One-Dimensional Counterflow Flame (1D-CF) with vanishingly small strain rate (a). The cross-section at a Height Above the Burner (HAB) of 50 mm is characterized in terms of C 0 -C 18 gas species using capillary sampling followed by GC-MS analyses. Laser-Induced Emission Spectroscopy (LIES) quantifies the soot volume fraction (ƒ v ) profiles at HAB=25 and 50 mm where Elastic Laser Light Scattering (E-LLS) is performed to determine the a of the equivalent 1D-CFs and the profile of the E-LLS equivalent diameter ( d 6,3 ) of soot. The substitution of 1500 ppm of ethylene with 2,2,4,6,6-pentamethyl-heptane causes an increase of ≈1.5 in the concentrations of several polycyclic aromatic hydrocarbons and fv. Concurrently, the measured d 6,3 doubles in the oxidizer stream, yet remains the same in the fuel stream, at HAB=50 mm. Instead, at HAB= 25 mm, the iso-dodecane doping does not affect the d 6,3 profile in either stream. The experimental results partially validate the chemical reactions and soot formation kinetic model developed at Lawrence Livermore National Laboratory and provide directions to further improve its predictions.
Iso-dodecane (2,2,4,6,6-Pentamethyl-Heptane)↗
Effect of Short-Range Correlations on Spectral Properties of Doped Mott Insulators
In the framework of the cluster perturbation theory for the 2D Hubbard and Hubbard-Holstein models at low hole doping, we have studied the effect of local and short-range correlations in strongly correlated systems on the anomalous features in the electronic spectrum by investigating the fine structure of quasiparticle bands. Different anomalous features of spectrum are obtained as the result of intrinsic properties of strongly correlated electron and polaron bands in the presence of short-range correlations. Particularly, features similar to the electron-like Fermi-pockets of cuprates at hole doping p ∼ 0.1 are obtained without ad hoc introducing a charge density wave order parameter within the Hubbard model in a unified manner with other known peculiarities of the pseudogap phase like Fermi-arcs, pockets, waterfalls, and kink-like features. The Fermi surface is mainly formed by dispersive quasiparticle bands with large spectral weight, formed by coherent low-energy exications. Within the Hubbard-Holstein model at moderate phonon frequencies, we show that modest values of local electron-phonon interaction are capable of introducing low-energy kink-like features and affecting the Fermi surface by hybridization of the fermionic quasiparticle bands with the Franck-Condon resonances.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
First-Principles Study on the Role of Cu and Cl-Based Dopants in NiO
Utilization of wide band gap oxide-based materials in thin-film solar energy technologies has increased in recent years. Among the numerous candidate oxide materials, NiO has shown many desirable optoelectronic properties that are applicable to thin-film PV technologies such as cadmium telluride PV. However, one critical factor requiring further investigation is the p-type doping behavior of NiO, specifically when the cadmium telluride solar cell undergoes conventional processes such as copper doping and chlorine-based activation treatment. The previous literature has shown a large degree of variability in hole concentrations in NiO when copper is used as the primary dopant. This study uses first-principles computational modeling based on density functional theory coupled with defect equilibria calculations to quantitatively explore the role of copper and chlorine-based extrinsic dopants in the p-type doping activity of NiO. The study reveals the importance of extrinsic dopants and their binding interactions with nickel vacancies to effectively p-dope NiO. It is suggested that both the formation of V Ni + Cu Ni and V Ni + Cl O defect pairs under a supersaturated state of NiO are potential mechanisms for increasing hole densities. On the other hand, the production of 2Cu Ni severely limits the effectiveness of p-doping in NiO, even in the presence of the aforementioned defect pairs. Furthermore, the study provides a guideline for experimentalists interested in using copper or chlorine species to understand how to controllably p-dope NiO during thin-film synthesis.
chlorine↗
Andrew Dieringer Poster for review
Silicon carbide has been identified as a useful material for nuclear application due to its heat resistance, low neutron absorbing cross-section, chemical inertness, and its rigidity as a structural material. These properties make it very favorable for high temperature environments such as in TRISO fuel and advanced reactor designs. Treatments such as n-doping, where carrier atoms are added to increase the number of free electrons, are expected to further improve properties such as thermal conductivity and electrical resistivity. Due to the high amount of neutron interactions in a nuclear reactor, it is expected that silicon carbide used in a reactor will be passively n-doped via transmutation. Studying the effects of n-doping in silicon carbide can help us better understand how the material will operate under real world conditions. We have found that n-doping the SiC increases both thermal and electrical conductivity, providing positive feedback under reactor usage. Previously it had been thought that under reactor conditions material properties of SiC could only degrade due to defects caused by neutron interactions. This study shows that transmutation doping can help to counteract and slow this process. This research shows that SiC can be used in nuclear reactor components contrasting with more costly and complicated alternative materials.
36 - MATERIALS SCIENCE↗
Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells
Due to the Fenton reaction, the presence of Fe and peroxide in electrodes generates free radicals causing serious degradation of the organic ionomer and the membrane. Pt-free and Fe-free cathode catalysts therefore are urgently needed for durable and inexpensive proton exchange membrane fuel cells (PEMFCs). Herein, a high-performance nitrogen-coordinated single Co atom catalyst is derived from Co-doped metal-organic frameworks (MOFs) through a one-step thermal activation. Aberration-corrected electron micros-copy combined with X-ray absorption spectroscopy virtually verifies the CoN4 coordination at an atomic level in the catalysts. Through investigating effects of Co doping contents and thermal activation temperature, an atomically Co site dispersed catalyst with optimal chemical and structural properties has achieved respectable activity and stability for the oxygen reduction reaction (ORR) in challenging acidic media (e.g., half-wave potential of 0.80 V vs reversible hydrogen electrode (RHE). The performance is comparable to Fe-based catalysts and 60 mV lower than Pt/C -60 µg Pt cm-2). Fuel cell tests confirm that catalyst activity and stability can translate to high-performance cathodes in PEMFCs. The remarkably enhanced ORR performance is attrib-uted to the presence of well-dispersed CoN4 active sites embedded in 3D porous MOF-derived carbon particles, omitting any inactive Co aggregates.
Wang, Xiao X.↗
Effect of Zn, Ga and Gd Doping on Structural and Magnetic Properties of Nanonickel Ferrite Prepared by Two Different Methods
Zn/Ga/Gd-substituted NiFe{sub 2}O{sub 4} was formed by solid state reaction and citrate methods. The influence of substitutions on phase formation, the strain, crystallize size, cations distribution and magnetic properties have been examined by X-ray diffraction, Mössbauer effect spectrometer, Fourier-transform infrared, and vibrating sample magnetometer. Zn/Ga/Gd substituted NiFe{sub 2}O{sub 4} samples prepared by solid state method showed that as gadolinium introduced into the system, a second phase was formed with a small percentage while samples prepared by citrate method exhibited a single phase. The distributions of different cations between different sites were determined by both Mössbauer effect spectroscopy, modified Bertaut and Rietveld analysis. Mössbauer technique at room temperature showed that samples synthesized by the ceramic method have a magnetic order while samples prepared by citrate method have a superparamagnetic nature. The canting angle between magnetic ions was increased by increased the amount of Zn in samples prepared by both methods.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Compensation for effects of ambient temperature on rare-earth doped fiber optic thermometer
Variations in ambient temperature have a negative effect on the performance of any fiber optic sensing system. A change in ambient temperature may alter the design parameters of fiber optic cables, connectors, sources, detectors, and other fiber optic components and eventually the performance of the entire system. The thermal stability of components is especially important in a system which employs intensity modulated sensors. Several referencing schemes have been developed to account for the variable losses that occur within the system. However, none of these conventional compensating techniques can be used to stabilize the thermal drift of the light source in a system based on the spectral properties of the sensor material. The compensation for changes in ambient temperature becomes especially important in fiber optic thermometers doped with rare earths. Different approaches to solving this problem are searched and analyzed.
Adamovsky, G.↗
Compensation for effects of ambient temperature on rare-earth doped fiber optic thermometer
Variations in ambient temperature have a negative effect on the performance of any fiber optic sensing system. A change in ambient temperature may alter the design parameters of fiber optic cables, connectors, sources, detectors, and other fiber optic components and eventually the performance of the entire system. The thermal stability of components is especially important in a system which employs intensity modulated sensors. Several referencing schemes have been developed to account for the variable losses that occur within the system. However, none of these conventional compensating techniques can be used to stabilize the thermal drift of the light source in a system based on the spectral properties of the sensor material. The compensation for changes in ambient temperature becomes especially important in fiber optic thermometers doped with rare earths. Different approaches to solving this problem are searched and analyzed.
Adamovsky, G.↗
Engineering experimental program on the effects of near-space radiation on lithium- doped solar cells Semiannual report, 2 Jul. 1969 - 30 Apr. 1970
Experimental determination of effects of near-space radiation on lithium-doped solar cells
Source record↗
Synergistic effects of Al, Ga, and In doping on ZnO nanorod arrays grown via citrate-assisted hydrothermal technique for highly efficient and fast scintillator screens
To be used as efficient alpha particle scintillator in the fields of nuclear security, nuclear nonproliferation and high-energy physics, scintillator screens must have high light output and fast decay properties. While there has been a great deal of progress in scintillation efficiency, achieving fast decay time properties are still a challenge. In this work, the near band edge (NBE) UV luminescence and alpha particle induced scintillation properties of vertically aligned densely packed ZnO nanorods (NRs) doped with Al, Ga, and In have been thoroughly investigated. The high crystalline hexagonal wurtzite structure with a strong orientation through the c -axis plane (002) and aspect ratios in the range 13–22 have been observed for all ZnO NRs. Electron paramagnetic resonance (EPR) analysis exhibited paramagnetic signals at g ≈ 1.96 for all ZnO NRs. A cost effective green hydrothermal synthesis technique was employed to grow well-aligned NRs. Using citrate as an additive acting as a strong reducing agent in the solution during the crystal growth, defects on the surface are significantly suppressed, thereby enhancing the NBE UV emission. Significantly higher NBE UV emission was observed from the top surface of ZnO NRs in cathodoluminescence (CL) microscopy. Results show that citrate assisted donor doping of ZnO NRs not only reduces the defect emission and NBE self-absorption, but also induces fast decay time (~ 600–700 ps), which makes ZnO NRs a good candidate for fast alpha particle scintillator screens used in associated particle imaging for time and direction tagging of individual neutrons generated in D–T and D–D neutron generators.
36 MATERIALS SCIENCE↗