Interface Energies of Nanocrystalline Doped Ceria: Effects of Manganese Segregation
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14 SOLAR ENERGY↗
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Atomistic modeling of La 3+ doping segregation effect on nanocrystalline yttria-stabilized zirconia
The effect of La 3+ doping on the structure and ionic conductivity change in nanocrystalline yttria-stabilized zirconia (YSZ) was studied using a combination of Monte Carlo and molecular dynamics simulations.
Chemistry↗
Y 1-x La x VO 3 : Effects of doping on orbital ordering
For this research, the effects of isovalent doping on orbital ordering in the perovskite Y 1-x La x VO 3 were investigated using neutron diffraction and the pair distribution function analysis. YVO 3 is a prototype for orbital ordering, exhibiting two consecutive transitions to G-type and C-type ordering with decreasing temperature. Evidence for local orbital ordering above the transition temperature of T OO ~200 K is presented, obtained from the temperature dependence of the oxygen-oxygen octahedral correlations. This suggests that locally, G-type orbital ordering is present above the T OO temperature but it is short range. With doping, it is expected that orbital ordering disappears altogether. In conclusion, by 30% of doping, as in Y 0.7 La 0.3 VO 3 , even though no orbital ordering is expected, we find that locally, C-type orbital correlations are most likely present below the magnetic transition temperature T N , allowing for a direct paramagnetic to orbitally ordered/antiferromagnetic transition in this composition.
36 MATERIALS SCIENCE↗
Effect of the doping of PC61BM electron transport layer with carbon nanodots on the performance of inverted planar MAPbI3 perovskite solar cells
The doping effect of carbon nanodots (CNDs) in the PC61BM electron-transport layer on the performance of inverted planar MAPbI3 perovskite solar cells (PSCs) having two different kinds of the hole-transport layer, namely organic PEDOT:PSS and inorganic NiOx, was investigated. The CH3NH3PbI3 perovskite layer was deposited in air at 35% humidity. An average 11% and 12% enhancement of the power conversion efficiency (PCE) was achieved for 1 wt% CNDs doping in the PSCs with PEDOT:PSS and NiOx, respectively. This improvement is attributed to high electron density of CNDs resulting in a triple increase of the electrical conductivity of the PC61BM layer and passivation of the perovskite/PC61BM interface that is reflected by an increase of the open-circuit voltage. In line with this, parallel resistance and fill factor of the PSCs are also improved. Moreover, the energy-resolved electrochemical impedance spectroscopy revealed additional free-charge carriers in the PC61BM layer generated under illumination that were detected via the polaron states formation in the band gap with positive effect on the short-circuit current. All these factors contribute to the PCE improvement. Stability tests of the PSC with PEDOT:PSS under a continuous 24 hour 1.5 AM illumination showed a five times smaller final PCE decrease for the 1 wt% CNDs doping of the PC61BM layer comparing to the undoped counterpart. The passivation effect of CNDs, namely electron filling the traps formed by the photo-dimerization and photo-oxidation of PC61BM molecules, is responsible for this remarkable improvement of the short-term stability. © 2019 International Solar Energy Society.
60 APPLIED LIFE SCIENCES↗
Effects of Mg doping on the remarkably enhanced electrochemical performance of Na 3 V 2 (PO 4 ) 3 cathode materials for sodium ion batteries
Na 3 V 2-x Mg x (PO 4 ) 3 /C composites with different Mg 2+ doping contents (x=0, 0.01, 0.03, 0.05, 0.07 and 0.1) were prepared by a facile sol-gel method. The doping effects on the crystal structure were investigated by XRD, XPS and EXAFS. The results show that low dose doping Mg 2+ does not alter the structure of the material, and magnesium is successfully substituted for vanadium site. The Mg doped Na 3 V 2-x Mg x (PO 4 ) 3 /C composites exhibit significant improvements on the electrochemistry performances in terms of the rate capability and cycle performance, especially for the Na 3 V 1.95 Mg 0.05 (PO 4 ) 3 /C. For example, when the current density increased from 1 C to 30 C, the specific capacity only decreased from 112.5 mAh g-1 to 94.2 mAh g -1 showing very good rate capability. Moreover, even cycling at a high rate of 20 C, an excellent capacity retention of 81% is maintained from the initial value of 106.4 mAh g-1 to 86.2 mAh g-1 at the 50th cycle. Enhanced rate capability and cycle performance can be attributed to the optimized particle size, structural stability and enhanced ionic and electronic conductivity induced by Mg doping.
25 ENERGY STORAGE↗
Proceedings of the Third Annual Conference on Effects of Lithium Doping on Silicon Solar Cells
Lithium-doping effects on silicon responses to irradiation for solar cells - conference
Berman, P. A.↗
Effects of high doping levels silicon solar cell performance
The significance of the heavy doping effects (HDE) on the open-circuit voltage of silicon solar cells is assessed. Voltage calculations based on diffusion theory are modified to include the first order features of the HDE. Comparisions of the open-circuit voltage measured for cells of various base resistivities are made with those calculated using the diffusion model with and without the HDE. Results indicate that the observed variation of voltage with base resistivity is predicted by these effects. A maximum efficiency of 19% (AM0) and a voltage of 0.7 volts are calculated for 0.1 omega-cm cells assuming an optimum diffused layer impurity profile.
Godlewski, M. P.↗
Effectively suppressing dissolution of manganese from spinel lithium manganate via a nanoscale surface-doping approach
The capacity fade of lithium manganate-based cells is associated with the dissolution of Mn from cathode/electrolyte interface due to the disproportionation reaction of Mn( III), and the subsequent deposition of Mn(II) on the anode. Suppressing the dissolution of Mn from the cathode is critical to reducing capacity fade of LiMn2O4-based cells. Here we report a nanoscale surface-doping approach that minimizes Mn dissolution from lithium manganate. This approach exploits advantages of both bulk doping and surface-coating methods by stabilizing surface crystal structure of lithium manganate through cationic doping while maintaining bulk lithium manganate structure, and protecting bulk lithium manganate from electrolyte corrosion while maintaining ion and charge transport channels on the surface through the electrochemically active doping layer. Consequently, the surface-doped lithium manganate demonstrates enhanced electrochemical performance. This study provides encouraging evidence that surface doping could be a promising alternative to improve the cycling performance of lithium-ion batteries.
Lithium ion battery↗
Effect of doping on room temperature carrier escape mechanisms in InAs/GaAs quantum dot p-i-n junction photovoltaic cells
We investigate the effect of doping on the mechanisms of carrier escape from intermediate states in delta-doped InAs/GaAs intermediate band solar cells. The intermediate states arise from InAs quantum dots embedded in a GaAs p-i-n junction cell. We find that doping the sample increases the number of excited-state carriers participating in a cycle of trapping and carrier escape via thermal, optical, and tunneling mechanisms. However, we find that the efficiency of the optically-driven carrier escape mechanism is independent of doping and remains small.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Visible-enhanced silver-doped PbI{sub 2} nanostructure/Si heterojunction photodetector: effect of doping concentration on photodetector parameters
This paper presents the effect of doping concentration on the properties of PbI{sub 2} nanostructure film and p-PbI{sub 2}:Ag/n-Si photodetector prepared by pulsed laser deposition PLD method. The PbI{sub 2} film was doped with silver at doping concentrations of 1%, 3% and 5%. XRD results show that all deposited PbI{sub 2} films are polycrystalline and well-crystallized along (001) plane with hexagonal structure. The structural studies revealed that the grain size of the film decreases as the doping concentration increase. Energy dispersive X-ray EDX, scanning electron microscope SEM and elemental mapping analysis confirm the presence of Pb, I and Ag elements and the films were near stoichiometric. Raman spectra of PbI{sub 2} film showed the presence of Raman peaks located at 73, 94.3, 108, 165.7, and 208.9 cm{sup −1} corresponding to E{sub 2}{sup 1}, A11, A{sub 1}{sup 2}, 2E{sub 1}{sup 1} and 2A{sub 1}{sup 2} vibration modes, respectively, and a Raman peak at 185 cm{sup −1} was observed for the film doped with 5 wt% which indexed to 2E{sub 1}{sup 1}. The optical energy gap of the film decreased from 2.8 to 2.3 eV after doping with silver. Hall measurement confirms that the deposited PbI{sub 2} films are p-type and the electrical resistivity of the film increases from 1.1 × 10{sup 4} to 1.8 × 10{sup 7} Ω cm as doping concentration increases from 1 to 5%.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Tuning Many-Body Interactions in Graphene: The Effects of Doping on Excitons and Carrier Lifetimes
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solar (photovoltaic), electrodes - solar, charge t↗
Spectroscopic studies of the physical origin of environmental aging effects on doped graphene
The environmental aging effect of doped graphene is investigated as a function of the organic doping species, humidity, and the number of graphene layers adjacent to the dopant by studies of the Raman spectroscopy, x-ray and ultraviolet photoelectron spectroscopy, scanning electron microscopy, infrared spectroscopy, and electrical transport measurements. It is found that higher humidity and structural defects induce faster degradation in doped graphene. Detailed analysis of the spectroscopic data suggest that the physical origin of the aging effect is associated with the continuing reaction of H{sub 2}O molecules with the hygroscopic organic dopants, which leads to formation of excess chemical bonds, reduction in the doped graphene carrier density, and proliferation of damages from the graphene grain boundaries. These environmental aging effects are further shown to be significantly mitigated by added graphene layers.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Enhancing Graphene Capacitance by Nitrogen: Effects of Doping Configuration and Concentration
Recent experiments have shown that nitrogen doping enhances capacitance in carbon electrode supercapacitors. However, a detailed study of the effect of N-doping on capacitance is still lacking. In this paper, we study the doping concentration and the configuration effect on the electric double-layer (EDL) capacitance, quantum capacitance, and total capacitance. It is found that pyridinic and graphitic nitrogens can increase the total capacitance by increasing quantum capacitance, but pyrrolic configuration limits the total capacitance due to its much lower quantum capacitance than the other two configurations. We also find that, unlike the graphitic and pyridinic nitrogens, the pyrrolic configuration's quantum capacitance does not depend on the nitrogen concentration, which may explain why some capacitance versus voltage measurements of N-doped graphene exhibit a V-shaped curve similar to that of undoped graphene. Our investigation provides a deeper understanding of the capacitance enhancement of the N-doping effect in carbon electrodes and suggests a potentially effective way to optimize the capacitance by controlling the type of N-doping.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Investigating the impact of source/drain doping dependent effective masses on the transport characteristics of ballistic Si-nanowire field-effect-transistors
This article studies the impact of doping dependent carrier effective masses of the source/drain regions on transport properties of Si-nanowire field effect transistors within ballistic limit. The difference of carrier effective mass in channel and that in the source/drain regions leads to a misalignment of respective sub-bands and forms non-ideal contacts. Such non-idealities are incorporated by modifying the relevant self-energies which control the effective electronic transport from source to drain through the channel. Non-ideality also arises in the nature of local density of states in the channel due to sub-band misalignment, resulting to a reduction of drain current by almost 50%. The highest values of drain current, leakage current, and their ratio are obtained for the S/D doping concentrations of 3 × 10{sup 20} cm{sup −3}, 8 × 10{sup 20} cm{sup −3}, and 2 × 10{sup 20} cm{sup −3}, respectively, for the nanowire of length 10 nm and diameter of 3 nm. Interestingly, the maximum of sub-threshold swing, minimum of threshold voltage, and the maximum of leakage current are observed to be apparent at the same doping concentration.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Analyzing the effect of doping concentration in split-well resonant-phonon terahertz quantum cascade lasers
The effect of doping concentration on the temperature performance of the novel split-well resonant-phonon (SWRP) terahertz quantum-cascade laser (THz QCL) scheme supporting a clean 4-level system design was analyzed using non-equilibrium Green’s functions (NEGF) calculations. Experimental research showed that increasing the doping concentration in these designs led to better results compared to the split-well direct-phonon (SWDP) design, which has a larger overlap between its active laser states and the doping profile. However, further improvement in the temperature performance was expected, which led us to assume there was an increased gain and line broadening when increasing the doping concentration despite the reduced overlap between the doped region and the active laser states. Through simulations based on NEGF calculations we were able to study the contribution of the different scattering mechanisms on the performance of these devices. We concluded that the main mechanism affecting the lasers’ temperature performance is electron-electron (e-e) scattering, which largely contributes to gain and line broadening. Interestingly, this scattering mechanism is independent of the doping location, making efforts to reduce overlap between the doped region and the active laser states less effective. Optimization of the e-e scattering thus could be reached only by fine tuning of the doping density in the devices. By uncovering the subtle relationship between doping density and e-e scattering strength, our study not only provides a comprehensive understanding of the underlying physics but also offers a strategic pathway for overcoming current limitations. This work is significant not only for its implications on specific devices but also for its potential to drive advancements in the entire THz QCL field, demonstrating the crucial role of e-e scattering in limiting temperature performance and providing essential knowledge for pushing THz QCLs to new temperature heights.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Effect of doping on growth and field emission properties of spherical carbon nanotube tip placed over cylindrical surface
Theoretical investigations to study the effect of doping of hetero-atoms on the growth and field emission properties of Carbon Nanotubes (CNTs) tip placed over a cylindrical surface in complex plasma have been carried out. A theoretical model incorporating kinetics of plasma species such as electron, ions, and neutral atoms including doping elements like nitrogen (N) and boron (B) and energy balance of CNTs in a complex plasma has been developed. The effect of doping elements of N and B on the growth of CNTs, namely, the tip radius has been carried out for typical glow discharge plasma parameters. It is found that N and B as doping elements affect the radius of CNTs extensively. We obtain small radii of CNT doped with N and large radius of CNT doped with B. The field emission characteristics from CNTs have therefore been suggested on the basis of results obtained. Some of theoretical results are in compliance with the existing experimental observations.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Effect of doping on the phase stability and superconductivity in LaH 10
Here, we present a computational investigation into the effects of chemical doping with 15 different elements on phase stability and superconductivity in the LaH 10 structure. Most doping elements were found to induce softening of phonon modes, enhancing electron-phonon coupling and improving critical superconducting temperature while weakening dynamical stability. Unlike these dopants, Ce was found to extend the range of dynamical stability for LaH 10 by eliminating the Van Hove singularity near the Fermi level. The doped compound, La 0.75 Ce 0.25 H 10 , maintains high-temperature superconductivity. We also demonstrate that different Ce doping configurations in the LaH 10 structure have a minimal effect on energetic stability and electron-phonon coupling strength. Our findings suggest that Ce is a promising dopant to stabilize LaH 10 at lower pressures while preserving its high-temperature superconductivity.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗