Charge Carrier Mobility Research Articles

Charge Carrier Dynamics of SnO2 Electron‐Transporting Layers in Perovskite Solar Cells

Perovskite solar cells (PSCs) have demonstrated remarkable increase in their photovoltaic efficiencies over the past several years. Charge carrier properties including charge selectivity, extraction, and transport play key roles in device performances. Therefore, a comprehensive insight into the charge carrier dynamics and mobility within the bulk materials and at the interface is of great importance for the future development of this cutting‐edge technology. This review discusses the recent advances that have been made in SnO2 electron‐transporting layers and their limitations, followed by outlining the key development of novel strategies in improving SnO2 films through surface defect engineering, interface modification, and doping approaches. In addition, the recent developments are highlighted for identifying the origin of defect and trap center, and promoting SnO2 electron extraction and transporting capacity in PSCs. Importantly, the novel approaches are also discussed for studying photogenerated charge carrier dynamics of the devices. In conclusion, the own prospectives and outlooks are presented for the development of SnO2‐based PSCs, with a particular focus on addressing current difficulties in SnO2 and providing in‐depth understanding on the relationships between materials and devices.

The mercurial rise in research of halide perovskites: what´s next

AbstractPerovskites are of high potential in the ongoing academic research, due to their distinctive electrical properties and crystalline structures. Halide perovskites show high light emissive properties and panchromatic light absorption across the visible spectrum. The exceptional electrical characteristics, such as their long carrier lifespan, high diffusion length, and charge carrier mobility, allow the electric charges to be transported and collected effectively. Furthermore, by tuning the cations and anions composition, perovskite’s opto-electrical properties can be altered. Moreover, dimension reduction affects their band gap and intrinsic features to induce higher structural stability but at the cost of the quantum confinement effect. Owing to their exceptional properties, halide perovskites are being researched in energy-related and semiconducting applications, hold high promise and the future looks bright. But challenges remain, and the larger question is what needs to be done to make them more stable.

(Ag–NiO)/g-C3N4 with enhanced photocatalytic activity for hydrogen evolution under simulated sunlight

g-C3N4 is a promising metal-free photocatalyst for hydrogen production, whose application is difficult due to the low mobility of charge carriers and rapid electron-hole recombination. Here we propose a new route to improve its response to simulated sunlight and prevent electron-hole recombination by grafting mixed Ag–NiO (1:1 nominal Ag/NiO weight ratio) materials, as an alternative to platinum group metal co-catalysts. g-C3N4 was prepared by urea pyrolysis, whereas Ag–NiO was prepared by a co-precipitation method, and then the composites were prepared by physical mixing using sonication-grinding. The presence of Ag–NiO on the surface plays a key role in accepting excited electrons and enhancing their lifetime for a subsequent reduction of protons to hydrogen. Hydrogen production was carried out from the photoreforming of ethanol under simulated sunlight. The results revealed that 2% (Ag–NiO)/g-C3N4 is effective among others with 5.2 times higher H2 production than unmodified g-C3N4. The percentage of ethanol in the ethanol/water ratio is very important as we have found that with increasing its quantity, the evolution of hydrogen becomes significant.

Phonon-limited mobility for electrons and holes in highly-strained silicon

Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect is not fully understood. In this work, we perform first-principles calculations to explore the variations of the mobility of electrons and holes in silicon upon deformation by uniaxial strain up to 2% in the [100] crystal direction. We compute the π11 and π12 electron piezoresistances based on the low-strain change of resistivity with temperature in the range 200 K to 400 K, in excellent agreement with experiment. We also predict them for holes which were only measured at room temperature. Remarkably, for electrons in the transverse direction, we predict a minimum room-temperature mobility about 1200 cm2 V−1 s−1 at 0.3% uniaxial tensile strain while we observe a monotonous increase of the longitudinal transport, reaching a value of 2200 cm2 V−1 s−1 at high strain. We confirm these findings experimentally using four-point bending measurements, establishing the reliability of our first-principles calculations. For holes, we find that the transport is almost unaffected by strain up to 0.3% uniaxial tensile strain and then rises significantly, more than doubling at 2% strain. Our findings open new perspectives to boost the mobility by applying a stress in the [100] direction. This is particularly interesting for holes for which shear strain was thought for a long time to be the only way to enhance the mobility.

Experimental Detection of Topological Electronic State and Large Linear Magnetoresistance in SrSn4 Superconductor

AbstractWhile recent experiments confirm the existence of hundreds of topological electronic materials, only a few exhibit the coexistence of superconductivity (SC) and a topological electronic state. These compounds attract significant attention in forefront research because of the potential for the existence of topological SC, paving the way for future technological advancements. SrSn4 is known for exhibiting unusual SC below the transition temperature (TC) of 4.8 K. Recent theory predicts a topological electronic state in this compound, which is yet to be confirmed by experiments. Systematic and detailed studies of the magnetotransport properties of SrSn4 and its Fermi surface characterizations are also absent. For the first time, a quantum oscillation study reveals a nontrivial 𝝅‐Berry phase, very light effective mass, and high quantum mobility of charge carriers in SrSn4. Magnetotransport experiment unveils large linear transverse magnetoresistance (TMR) of more than 1200% at 5 K and 14 T. Angle‐dependent transport experiments detect anisotropic and fourfold symmetric TMR, with the maximum value (≈2000%) occurring when the angle between the magnetic field and the crystallographic b‐axis is 45°. The results suggest that SrSn4 is the first topological material with SC above the boiling point of helium that displays such high magnetoresistance.

Designing Contact Independent High-Performance Low-Cost Flexible Electronics.

Organic semiconductors enable low-cost solution processing of optoelectronic devices on flexible substrates. Their use in contemporary applications, however, is sparse due to persistent challenges in achieving the requisite performance levels in a reliable and reproducible manner. A critical bottleneck is the inefficiency associated with charge injection. Here, large-scale simulations are employed to identify operational windows where key device parameters that are difficult to control experimentally, such as the contact resistance, become less consequential to overall device functionality. This design methodology overcomes injection barrier limitations in organic field-effect transistors (OFETs), leading to high charge carrier mobility and significantly expanding the range of suitable electrode materials. Leveraging this new understanding, all-organic, solution-deposited OFETs are successfully fabricated on flexible substrates. These devices incorporate printed contacts and showcase mobilities exceeding 5cm2Vs-1. These results provide a route for accessing the fundamental limits of material properties even in the absence of ideal contacts - a critical step in establishing reliable structure/property relationships and optimal material design paradigms. While reducing the injection barrier and contact resistance remains critical for achieving high OFET performance, this work demonstrates a path toward consistently achieving high charge carrier mobility through device geometry design, ultimately reducing processing complexity and cost.

Synthesis and characterization of zinc-doped hematite nanoparticles for photocatalytic applications and their electronic structure studies by density functional theory

Hematite nanoparticles doped with 1, 3 and 5 % Zn (all % are in molar) were prepared using mechanical alloying. Morphological and phase structure studies using scanning electron microscopy and X-ray diffraction showed nanoparticles possessing a semi-spherical shape and particle size of <50 nm crystallized in rhombohedral structure. The lattice parameters of hematite increased upon Zn doping. The energy-dispersive X-ray and Fourier-transform infrared results demonstrated that Zn was successfully incorporated. The optical behavior of nanoparticles was examined by UV–Vis diffuse reflectance spectroscopy and revealed that Zn doping increased the absorption intensity in the visible light region and decreased the band gap from 1.95 (hematite) to 1.83 eV (3 % Zn). Methylene blue dye degradation by the 3 % Zn sample proved doubling of the photocatalytic activity due to electronic structure modification upon Zn doping. First principles studies using density functional theory performed to investigate the effect of Zn on the electronic band structure of hematite showed that Zn doping caused band gap reduction, causing formation of new energy states, mainly above the valence band. Eventually, the enhancement of Urbach energy and reduction of effective mass, respectively accountable for increasing the relaxation time and mobility of charge carriers, were considered the two main mechanisms regarding the increased photocatalytic behavior of hematite by Zn doping.

Impact of Irreversible Adsorption on Molecular Ordering and Charge Transport in Poly(3-hexylthiophene) Thin Films on Solid Substrates.

We investigate the irreversible adsorption of poly(3-hexylthiophene) (P3HT) polymer thin films on silicon dioxide/silicon (SiO2/Si) substrates during thermal annealing at a temperature below the melting temperature (Tm) but far above the glass transition temperature (Tg), i.e., Tg ≪ T = 170 °C < Tm, and its effect on their crystalline ordering and charge transport properties. It was found that short-time annealing enhances the molecular ordering of P3HT films, while prolonged thermal annealing gradually disrupts the crystalline structures and reduces the overall crystallinity of the film. Concurrently, thermal annealing at this temperature facilitates the slow irreversible adsorption of P3HT chains at the polymer-solid interface, resulting in the formation of a 1.7 Rg-thick (∼18 nm thick) adsorbed layer on SiO2/Si substrates that is fully amorphous and contains a large fraction of loosely adsorbed chains. We postulate that such irreversible adsorption is responsible for the reduced crystalline packing of P3HT at the polymer-solid interface at Tg ≪ T < Tm, which further disrupts the molecular ordering of the entire 46 nm thick P3HT film by a long-range perturbation effect. Electrical measurements using an organic field-effect transistor (OFET) device reveal that the enhanced charge carrier mobility of P3HT films correlates with an optimized annealing time at Tg ≪ T < Tm, which achieves a balance between maximizing molecular ordering and minimizing the impact of irreversible chain adsorption. These findings provide new insights into the underlying mechanism of thermal annealing in tailoring the structure and property of conjugated polymer thin films prepared on solid substrates.

Exploring the photocatalytic production of hydrogen by Co, Cu or Pd species as co-catalysts supported on a ZnxTiyOz perovskite/TiO2 structure

A key factor for improving the performance of the hydrogen photocatalytic reaction is the logical, functional, and effective design of the photogenerated charge transfer through the solid-solid interface in a heterojunction. This point is particularly crucial in cases such as the one of TiO2, where a relatively rapid recombination occurs. In this work, a ZnxTiyOz/TiO2 heterojunction using the sol-gel nucleation is presented. This method gives rise to a strong and efficient interaction between ZnxTiyOz and TiO2, increasing the photocatalytic activity. Moreover, the addition of Co, Cu or Pd species to the heterojunction surface increases the hydrogen production, due to the strong interaction between them as shown by HRTEM and XPS analyses. Furthermore, the (photo)electrochemical characterization shows that the resistance to charge transfer decreases with co-catalysts, observing the following trend: Pd < Cu < Co. This outcome is related to the mobility and separation of charge carriers and the role played by co-catalysts in hydrogen production.

Research on the Fabrication and X‐Ray Detection Performance of MAPbBr3‐Based 3D/2D Heterojunctions

Perovskite materials, renowned for their high mean atomic number, charge carrier mobility–lifetime product, and X‐ray absorption coefficient, have emerged as exceptional candidates for the fabrication of high‐sensitivity X‐ray detectors. Herein, a BA2PbBr4/MAPbBr3 heterojunction is epitaxially grown, with ion migration effectively suppressed through the passivation of surface defects of the 3D heterojunction. Additionally, the presence of an internal electric field within the heterojunction facilitated the extraction and accumulation of photoinduced charge carriers, further enhancing device sensitivity (5964.05 μC Gy−1 cm−2). The fabricated 2D/3D perovskite heterojunction devices show outstanding self‐driven X‐ray detection performance at 0 V mm−1 bias (1195.5 μC Gy−1 cm−2), surpassing that of α‐Se detectors (20 μC Gy−1 cm−2). The proposed method for the fabrication of self‐driven detectors is relatively simple and is therefore expected to contribute to the commercialization of perovskite‐based X‐ray detectors.

Characteristics Study of OLED Materials

Abstract Organic Light Emitting Diodes (OLEDs) are emerging as promising alternatives to conventional lighting and display technologies due to their unique properties and potential energy efficiency. This study conducts a comprehensive investigation into OLED materials, focusing on their optical, electrical, and structural characteristics. Through experimental analysis and theoretical modeling, the study delves into the performance and behaviour of various OLED materials, including organic semiconductors, charge transport layers, and emissive materials. Critical aspects such as charge carrier mobility, exciton formation, and device stability are examined to understand the mechanisms governing OLED operation. The findings offer valuable insights into optimizing OLED devices for applications ranging from consumer electronics to lighting and signage. This research contributes fundamental knowledge and practical guidelines for material selection, device fabrication, and performance assessment, thereby advancing OLED technology. The insights provided pave the way for future innovations in OLED materials and device design, potentially leading to improvements in efficiency, brightness, and longevity.

Elucidating the time-dependent charge neutrality point modulation of polymer-coated graphene field-effect transistors in an ambient environment.

The charge neutrality point (CNP) is one of the essential parameters in the development of graphene field-effect transistors (GFETs). For GFET with an intrinsic graphene channel layer, the CNP is typically near-zero-volt gate voltage, implying that a well-balanced density of electrons and holes exists in the graphene channel layer. Fabricated GFET, however, typically exhibits CNP that is either positively or negatively shifted from the near-zero-volt gate voltage, implying that the graphene channel layer is unintentionally doped, leading to a unipolar GFET transfer characteristic. Furthermore, the CNP is also modulated in time, indicating that charges are dynamically induced in the graphene channel layer. In this work, understanding and mitigating the CNP shift were attempted by introducing passivation layers made of polyvinyl alcohol and polydimethylsiloxane onto the graphene channel layer. The CNP was found to be negatively shifted, recovered back to near-zero-volt gate voltage, and then positively shifted in time. By analyzing the charge density, carrier mobility, and correlation between the CNP and the charge density, it can be concluded that positive CNP shifts can be attributed to the charge trapping at the graphene/SiO2interface. The negative CNP shift, on the other hand, is caused by dipole coupling between dipoles in the polymer layer and carriers on the surface of the graphene layer. By gaining a deeper understanding of the intricate mechanisms governing the CNP shifts, an ambiently stable GFET suitable for next-generation electronics could be realized.

Ultrahigh Electrical Conductivity in p-Type CsPbI2Br Perovskite Thin Films by Modulation Doping.

The widespread adoption of halide perovskites for application in thermoelectric devices, DC power generators, and lasers is hindered by their low charge carrier concentration. In particular, increasing their charge carrier concentration is considered the main challenge to serve as a promising room-temperature thermoelectric material. Efforts have been devoted to enhancing the charge carrier concentration by doping and composition engineering. However, the coupling between charge carrier concentration and mobility, along with the poor stability of these materials, impedes their development for thermoelectric applications. Herein, we demonstrate the successful increase in the charge carrier concentration of CsPbI2Br by forming a heterojunction structure with Cu2S via a facile spin-coating method. The excellent band alignment between two materials combined with a charge-transfer mechanism realizes the modulation doping, resulting in 8 orders of magnitude increase in carrier concentration from 1012 to 1020 cm-3 without detrimental effect on the carrier mobility of CsPbI2Br. The thermoelectric power factor of the heterostructured CsPbI2Br reached 6.6 μW/m·K2, which is 330 times higher than that of pristine CsPbI2Br. Furthermore, these films showed higher humidity stability than the control films. This study offers a promising avenue for increasing the charge carrier concentration of halide perovskites, thereby enhancing their potential for various applications.

Ion transport properties and performance of gellan gum based composite polymer membrane electrolytes in proton battery and PEMFC applications

Biopolymer Gellan gum (GG) incorporated with ammonium iodide (NH₄I) salts and inorganic filler nano-TiO2 improved the ion transport facility in the salt-polymer matrix. The crystalline/amorphous nature of the membranes and the presence of n-TiO2 are evident from XRD analysis. The vibration modes corresponding to the characteristic functional groups and bonding interactions within the polymer matrix and incorporated filler materials present in the as-prepared membranes were analyzed using FTIR technique respectively. The ion transport parameters such as ionic conductivity (σ), diffusion coefficient (D), and mobility (μ), were studied using Ac impedance, transference number measurement, and FTIR deconvolution. The biopolymer membrane with the composition, 1 g GG: 0.3 M.wt% of NH4I (GGAI-3) shows the highest ionic conductivity of 2.65 ± 0.03×10−3 S/cm and on addition of 0.1 M.wt% of n-TiO2 (GGAIT-1) the increase in ionic conductivity of 4.07 ± 0.02×10−2 S/cm was observed. The H¹NMR studies help in understanding the mobility of charge carriers upon their chemical shifts. The glass transition temperature values of the as-prepared membranes were determined using DSC studies. The morphological change on the surface of the GG polymer membrane due to the addition of NH4I and n-TiO2 were analyzed using the SEM technique. The thermal, mechanical, and chemical stability of the highest ion-conducting biopolymer and composite polymer membranes were assessed using TGA, mechanical stability tests, and chemical stability tests. The IEC test exhibits the number of exchangeable ions in the polymer matrix. Utilizing the GGAI-3 and GGAIT-1 membranes as electrolytes, proton batteries were constructed and observed to have the pseudocapacitive behaviour; as the electrodes experience surface limited redox reaction at the electrode-electrolyte interface. The PEMFC cell using the GGAI- 3 and GGAIT-1 as proton exchange membrane exhibits the OCV of 646 mV and 682 mV respectively. Their performances were analyzed using the I-V polarization curve resulted with the power density of 0.14 mW/cm2and 0.34 mW/cm2 respectively.

Spin effect in the ferromagnetic organic photovoltaics cells

In organic photovoltaic devices, the separation and transport of photogenerated charges play crucial roles for power conversion efficiency. Magnetic doping in organic solar cells can effectively enhance the power conversion efficiency by introducing a static magnetic field. In this study, we observed that in pure organic magnetic solar cells, the spin-polarization-induced spin scattering effect can also efficiently modulate the photocurrent in solar cells. Compared to the demagnetized state, the short-circuit current of PTB7:nw-P3HT:PCBM solar cells increased by approximately 0.3% after magnetization. The dielectric constant only increased by about 0.05%. However, above the Curie temperature 310 K, the long-range spin order in PTB7:nw-P3HT:PCBM solar cells disappears, resulting in consistent circuit currents before and after magnetization. Therefore, magnetic doping can enhance the short-circuit current in organic solar cells by weakening the spin scattering effect and enhancing the charge carrier mobility.

Electrical properties of completely compensated single-crystal Ge-on-GaAs films with two-dimension Coulomb disorder

We present electrical properties of heavily doped and completely compensated Ge films grown on semiinsulating GaAs(100) substrates by vacuum evaporation. The thin (∼100 nm) Ge films are single-crystal and characterized using temperature-dependent transport measurements, with anomalously large activation energy up to half the Ge bandgap, anisotropy of the transverse magnetoresistance, high resistivity (up to 140 Ω cm), low free charge carrier mobility (∼50 cm2/V·s), and concentration (∼1014–1015 cm−3). This behaviour is attributed to a completely compensated semiconductors arising from Ga and As impurity incorporation and large-scale potential fluctuations. Analysis suggests a two-dimensional percolative transport mechanism in Ge-on-GaAs heterostructures.

SbSeI for high-efficient photocatalytic degradation of multiple pollutants

Photocatalytic degradation is an effective technology for degrading water pollution that plays a significant role in environmental remediation. Ternary 2D ternary V-VI-VIIA semiconductors are ideal candidates for photocatalytic degradation of pollutants due to effective light absorption and high charge carrier mobility. In this work, high-quality SbSeI crystals were prepared using the chemical vapor transport (CVT) method and their photocatalytic degradation performance for multiple pollutants was studied. SbSeI exhibits excellent photocatalytic performance in the degradation of potassium dichromate (Cr (VI)), rhodamine B (RhB), tetracycline hydrochloride (TC-HCl) and methyl orange (MO). More than 98% of Cr (VI) and RhB can be removed after irradiation with an Xe lamp for 10 min and 40 min, respectively. The capture experiments and electron spin resonance results indicated that ·O2− plays a major role in reducing Cr (VI), while h+ plays a primary role in the degradation of MO, RhB and TC-HCl. Interestingly, the degradation rate of Cr (VI) is 1.3 times higher than that of a single pollutant system, and the degradation rate of RhB is 1.6 times higher, due to the enhanced separation and utilization of holes and electrons. The results demonstrate that SbSeI is a potential photocatalytic degradation material.

Shape controlled synthesis and crystal facet dependent gas sensitivity of tungsten oxide

Gas sensors can achieve remarkable functionality through the optimization of particle size, shapes, crystal facets, and oxygen defects, resulting in unsaturated coordination atoms, high charge densities, and enhanced bond energies. In this study, WO2.72 nanourchins, WO3-x nanowires, and WO3 nanorods/nanocube with (010), (001), (200), and (002) dominant crystal facets were synthesized and used as gas sensing materials. It was found that WO2.72 nanourchins exhibit an excellent response of Ra/Rg=21 to 100 ppm acetone with good selectivity among other sensors as-fabricated. First-principle calculations of Density Functional Theory were performed on acetone's adsorption on different crystal planes of tungsten oxide. The results verify spontaneous and fast adsorption on the (010) crystal plane than on the (001) and (200) planes. Further characterizations indicate that WO2.72 nanourchins with (010) crystal facets contain more reactive sites with high surface energy, facilitating charge separation, increasing charge carrier mobility, and enabling the redox reactions to occur independently at different rates. Moreover, their richer electron-donor surface oxygen defects, smaller feature sizes, and higher surface area (SBET) with hierarchical porous structures, all contribute to the enhanced acetone sensing. Our work provides a strategy for improved acetone sensing based on optimizing the particle shape with different crystal facets and oxygen vacancy density. We further expect our strategy to be applicable in designing other sensor materials with efficient charge separation and fast surface redox reactions to detect toxic gases.

Multifaceted Analysis of L-Alanine-Doped Creatininium Benzene Sulphonate Single Crystals for Optical Modulation Application

Creatininium Benzene Sulphonate (CBS) and L-Alanine-doped Creatininium Benzene Sulphonate (ACBS) single crystals were grown using the slow evaporation technique. Xpert HighScore software was utilized to determine lattice parameters including Full Width at Half Maximum (FWHM), crystallite size, and lattice strain. Fourier transform infrared spectroscopy was used to identify the functional groups present in the samples. The thermal properties of CBS and ACBS crystals were analyzed using Thermogravimetric and Differential Thermal Analysis. Optical properties including optical conductivity, extinction coefficient, and refractive index were measured using UV-Vis spectroscopy. The mechanical characteristics of both samples were studied using Vicker’s microhardness testing, and the dielectric response was recorded for various frequencies. The second harmonic generation values of samples were compared to those of potassium dihydrogen phosphate. Overall, CBS and ACBS crystals demonstrate promising characteristics as sustainable materials for optical modulation. Incorporating amino acids, such as L-Alanine, enhances the photoconductive properties of the crystals by improving charge carrier mobility and reducing recombination rates, resulting in more efficient optical modulation. This study explores the impact of doping single crystals with amino acids on their optoelectronic and dielectric properties for potential applications in optical modulation devices. Specifically, this research investigates the role of L-Alanine, a zwitterionic amino acid, in enhancing the performance of CBS single crystals, with the aim of optimizing their structural, thermal, optical, and mechanical properties for optical modulation. These findings highlight the potential of amino acid-doped single crystals in advancing optical devices, driving innovations in optoelectronics and photonics.

High-throughput screening of 2D materials identifies p-type monolayer WS2 as potential ultra-high mobility semiconductor

Abstract2D semiconductors offer a promising pathway to replace silicon in next-generation electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces and enable scaling the channel thickness down to the monolayer limit. However, these materials exhibit comparatively lower charge carrier mobility and higher contact resistance than 3D semiconductors, making it challenging to realize high-performance devices at scale. In this work, we search for high-mobility 2D materials by combining a high-throughput screening strategy with state-of-the-art calculations based on the ab initio Boltzmann transport equation. Our analysis singles out a known transition metal dichalcogenide, monolayer WS2, as the most promising 2D semiconductor, with the potential to reach ultra-high room-temperature hole mobilities in excess of 1300 cm2/Vs should Ohmic contacts and low defect densities be achieved. Our work also highlights the importance of performing full-blown ab initio transport calculations to achieve predictive accuracy, including spin–orbital couplings, quasiparticle corrections, dipole and quadrupole long-range electron–phonon interactions, as well as scattering by point defects and extended defects.