Photon Absorption Research Articles

Attosecond delays in X-ray molecular ionization.

The photoelectric effect is not truly instantaneous but exhibits attosecond delays that can reveal complex molecular dynamics1-7. Sub-femtosecond-duration light pulses provide the requisite tools to resolve the dynamics of photoionization8-12. Accordingly, the past decade has produced a large volume of work on photoionization delays following single-photon absorption of an extreme ultraviolet photon. However, the measurement of time-resolved core-level photoionization remained out of reach. The required X-ray photon energies needed for core-level photoionization were not available with attosecond tabletop sources. Here we report measurements of the X-ray photoemission delay of core-level electrons, with unexpectedly large delays, ranging up to 700 as in NO near the oxygen K-shell threshold. These measurements exploit attosecond soft X-ray pulses from a free-electron laser to scan across the entire region near the K-shell threshold. Furthermore, we find that the delay spectrum is richly modulated, suggesting several contributions, including transient trapping of the photoelectron owing to shape resonances, collisions with the Auger-Meitner electron that is emitted in the rapid non-radiative relaxation of the molecule and multi-electron scattering effects. The results demonstrate how X-ray attosecond experiments, supported by comprehensive theoretical modelling, can unravel the complex correlated dynamics of core-level photoionization.

A model-independent tripartite test of cosmic distance relations

Cosmological distances are fundamental observables in cosmology. The luminosity (D L), angular diameter (D A) and gravitational wave (D GW) distances are all trivially related in General Relativity assuming no significant absorption of photons in the extragalactic medium, also known as cosmic opacity. Supernovae have long been the main cosmological standard candle, but bright standard sirens are now a proven alternative, with the advantage of not requiring calibration with other astrophysical sources. Moreover, they can also measure deviations from modified gravity through discrepancies between D L and D GW. However, both gravitational and cosmological parameters are degenerate in the Hubble diagram, making it hard to properly detect beyond standard model physics. Finally, recently a model-independent method named FreePower was proposed to infer angular diameter distances from large-scale structure which is independent of the knowledge of both early universe and dark energy physics. In this paper we propose a tripartite test of the ratios of these three distances with minimal amount of assumptions regarding cosmology, the early universe, cosmic opacity and modified gravity. We proceed to forecast this test with a combination of LSST and Roman supernovae, Einstein Telescope bright sirens and a joint DESI-like + Euclid-like galaxy survey. We find that even in this very model-independent approach we will be able to detect, in each of many redshift bins, percent-level deviations in these ratios of distances, allowing for very precise consistency checks of ΛCDM and standard physics. It can also result in sub-percent measurements of H 0.

Sunlight-activated dye degradation of ZnO/CdO-decorated graphene oxide and its antibacterial activity

The pollution of water sources by hazardous substances such as sulfates, cyanides, and heavy metals represents a major environmental challenge. Addressing these issues requires the degradation of pollutants in wastewater to mitigate our environmental crises. Graphene oxide (GO) significantly enhances the mechanical and functional properties of GO-ZnO and GO-CdO nanocomposites, making them promising materials for applications in both sensors and catalysts. In this context, two optically active metal oxide-decorated graphene oxides (GO-ZnO and GO-CdO) were synthesized, and their photocatalytic efficacy against methylene blue (MB) was evaluated. Using an FT-IR spectrophotometer, the vibrational modes of hydroxyl (OH), carbonyl (C]O), and carboxylic (COOH) groups were identified. Raman spectroscopy analysis provided additional insights, confirming these vibrational properties. These materials exhibited peak photon absorption (λmax) at 242 nm and an optical band gap of 3.7 eV. Frontier molecular orbital (FMO) analyses indicated significant electronic charge transfer on the materials' surfaces, demonstrating their excellent capacity for adsorbing MB. An optimal catalyst dosage of 50 mg was found to be most effective in accelerating the degradation of MB. Additionally, variations in the initial pH of the solution showed a direct correlation, with higher pH levels leading to enhanced degradation efficiency, reaching up to 97 % after 120 min. Quantum Theory of Atoms in Molecules (QTAIM) analyses revealed that MB is extensively adsorbed and degraded through a series of hydrogen bonding interactions. Moreover, experimental results indicate that both materials have a significant impact on bacterial destruction, suggesting their potential as novel antibacterial agents.

First-principles quantum analysis of structural, optoelectronic, and thermophysical properties of Co/Ni doped ceria Ce1−xTmxO2 (Tm=Co, Ni) for solar cell applications

The properties of CeO2 thin films, such as their memory store capabilities, visual transparency, chemical and thermal durability, adjustable energy band topologies, and high oxygen storage capacity have captured the attention of scientists. The energy band dispersions for Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) are calculated to get insight into the characteristics of the materials under investigation. The anticipated energy bandgaps for Ce1−xCoxO2 and Ce1−xNixO2 are 2.6 and 2.7 eV, respectively, in the spin ↑ channel. However, both compounds show metallic character in inspin ↓ channel. The phenomena of photon absorption/dispersion by the host materials can be elucidated using dielectric function εω of Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%). Significant photon absorption can be noted in UV and IR regions for Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) in spin ↑ and spin ↓ channels, respectively. Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) exhibits a minimal photon reflection, approximately 15%. Ce1−xNixO2 shows excellent thermoelectric characteristics as its ZT value is high (1.8 at 1000K) compared to Ce1−xCoxO2. Based on their thermodynamic properties, Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) are thermodynamically stable compounds.

Enhancing the Overall Performance of Perovskite Solar Cells with a Nano-Pyramid Anti-Reflective Layer

Perovskite solar cells (PSCs) still suffer from varying degrees of optical and electrical losses. To enhance the light decoupling and capture ability of Planar PSCs, an ultra-thin PSC structure with an Al2O3 pyramid anti-reflection layer (Al2O3 PARL) is proposed. The effect of the structure of the Al2O3 PARL on the photoelectric performance of PSCs was investigated by changing various parameters. Under the AM1.5 solar spectrum (300–800 nm), the average light absorption rates and quantum efficiency (QE) of PSCs containing pyramid-array textured rear layers (PARLs) were significantly higher than those of planar PSCs. The Al2O3 PARL-based PSCs achieved a light absorption rate of 96.05%. Additionally, electrical simulations were performed using the finite element method (FEM) to calculate the short-circuit current density (JSC), open-circuit voltage (VOC), and maximum power (Pmax). Based on the maximum value of the average light absorbance, the geometric structure of the Al2O3 pyramid PSCs was optimized, and the optimization results coincided with the JSC and QE results. The results of the electrical simulation indicated that the maximum JSC was 23.54 mA/cm2. Additionally, the JSC of the Al2O3 pyramid PSCs was 22.73% higher than that of planar PSCs, resulting in a photoelectric conversion efficiency (PCE) of 24.34%. As a result, the photoelectric conversion rate of the solar cells increased from 14.01% to 17.19%. These findings suggest that the presence of the Al2O3 PARL enhanced photon absorption, leading to an increase in electron–hole pairs and ultimately improving the photocurrent of the solar cells.

Diffuse radiation influence on the performance of luminescent solar concentrators

Luminescent Solar Concentrators (LSCs) are often purported to perform pretty well under both direct and diffuse solar irradiance conditions, yet the underlying rationale supporting this assumption remains scant. Furthermore, a significant portion of previous research on these photovoltaic devices relies on indoor equipment for efficiency characterization, thereby limiting insights into their performance under real operating conditions. In this study, we provide a theoretical framework elucidating the principles governing the superior performance of LSCs under diffuse irradiance. Specifically, we demonstrate that the isotropic distribution of dipoles within the LSC optical window aligns favorably with the Lambertian distribution of diffuse radiation, thereby enhancing photon absorption under diffuse conditions (25 %) respect to clear sunny skies (21 %). This theoretical foundation is bolstered by experimental investigations involving prototypes utilizing Lumogen Red dye, conducted under adverse irradiance conditions, including sunny, hazy, and partially cloudy skies. Our experimental findings reveal that light scattering, whether arising naturally from diffuse radiation or via scattering from neighboring surfaces, significantly amplifies the short-circuit current of LSC devices (37 % relative enhancement) compared to that generated under clear sky conditions (21 % relative enhancement).

First-ever fusion of high entropy alloy (HEA) with glass: Enhancing of critical properties of zinc-tellurite glass through TiZrNbHfTaOx incorporation

Many oxide additives have historically been used to enhance the radiation shielding properties of glasses, yet the potential of high-entropy oxides (HEOs), which have gained popularity in material science for their unique properties, has not been explored in this context. This study is the first to investigate the radiation shielding capabilities of Zinc-Tellurite glass infused with High Entropy Oxide (HEO), specifically utilizing the novel attributes of a synthesized TiZrNbHfTa. In this study, the nuclear shielding properties of newly fabricated Zinc-Tellurite glasses doped with TiZrNbHfTaOx with a composition (25ZnO·75TeO2)100-x. (TiZrNbHfTaOx)x (x = 0, 1, 2, 3, 4 mol%) were studied. Through the synthesis of a TiZrNbHfTa HEA and its integration into glass structure, we have developed a series of novel materials with enhanced protective properties against both gamma-ray and neutron radiation. Experimental results demonstrate that the HEO-infused glass, particularly the HEC1-4 composition, significantly surpasses traditional shielding materials in neutron attenuation, evidenced by its superior effective neutron removal cross-section. Additionally, the HEC1-4 glass demonstrates improved gamma-ray shielding capabilities, with increased mass attenuation coefficients and decreased half-value layers, indicating a higher capacity for photon interaction and absorption. It can be concluded that the incorporation of High Entropy Alloys into glass matrices not only opens a new frontier in radiation shielding materials but also provides a versatile and effective solution with considerable potential for enhancing safety measures in radiation-prone environments.

Photocatalytic Hydrogen Peroxide Production by a Mixed Ligand-Functionalized Uranyl-Organic Framework.

Hydrogen peroxide (H2O2) production driven by solar energy has received enormous attention due to its high efficiency, low cost, and environmental friendliness characteristics. Searching for new photocatalytic materials for H2O2 production is one of the most important targets. In this work, a new three-dimensional (3D) uranyl-organic framework material was constructed with mixed ligands via a solvothermal reaction and used for photocatalytic H2O2 production. The mixed ligand strategy not only benefits the construction of a 3D uranyl-organic framework but also introduces strong photon absorption groups into the framework. The thiophene and pyridine rings in the framework enhance photon absorption and carrier transfer. In addition, with the assistance of the hydrogen abstraction reaction of uranyl centers, the H2O2 production rate reaches 345 μmol h-1 g-1. This study provides a new blueprint for exploring the artificial photosynthesis of H2O2 through uranium-based metal-organic frameworks.

Second harmonic generation and reverse saturable absorption in electrospun picric Acid-PMMA nanofibers

Picric acid (PA) – polymethyl methacrylate (PMMA) nanofibers were synthesised using electrospinning technique by optimising all the required parameters. The nonlinear optical behaviour of the synthesised nanofibers was investigated along with their preliminary characterisations like morphological, structural, thermal, mechanical, dielectric and linear optical studies. The nanofibers with average diameter around ∼800 nm, were found to crystallise in Pca21 space group under the orthorhombic crystal system. The incorporation of Picric acid nanocrystals inside the PMMA nanofibers enhanced their tensile strength. Second harmonic generation imaging of picric acid embedded PMMA nanofibers was done by nonlinear microscopy and the emission was confirmed by power dependence as well as Kurtz – Perry powder technique. Nonlinear absorption studies by Z – scan technique were conducted with a Q – switched Nd: YAG laser and the nanofibers exhibited reverse saturable absorption nature at all the input intensities (0.616 × 1012 W/m2, 1.23 × 1012 W/m2 and 2.46 × 1012 W/m2) and the value of the nonlinear absorption coefficient increased corresponding to an increase in input intensity (0.98 × 10−10 m/W, 1.39 × 10−10 m/W and 1.61 × 10−10 m/W) owing to a sequential two photon absorption. Using the transmittance data optical limiting properties of the nanofibers were also analysed and the limiting threshold values (1.92 × 1012 W/m2, 1.80 × 1012 W/m2 and 1.54 × 1012 W/m2) at respective intensities were extracted. The low optical limiting threshold obtained in the present case confirms that picric acid – PMMA nanofibers can be an assured contender as optical limiters in laser safety devices.

Kinetic modeling of the photocatalytic degradation of acetaminophen and its main transformation products

In this study, a kinetic model of the heterogeneous photocatalytic degradation of acetaminophen and its main transformation products is presented. Kinetic photocatalytic modeling and photon absorption rate modeling were included. Monte Carlo method was used to model the photon absorption process. Experiments were carried out in a reactor operated in batch mode and TiO2 nanotubes were used as photocatalyst irradiated with 254 nm UVC. Kinetic parameters were estimated from the experiments data by applying a non-linear regression procedure. Intrinsic expressions to the kinetics of acetaminophen degradation and its main transformation products were derived. Model, kinetics and photon absorption formulations and parameters proved to be affordable for describing the photocatalytic degradation of acetaminophen, but improvements should be done for better description of formation and oxidation kinetics of main transformation products. The model should be tested with other pharmaceuticals and emergent pollutants to calibrate it and evaluate its applicability in a wide range of compounds.

The Pigment World: Life's Origins as Photon-Dissipating Pigments.

Many of the fundamental molecules of life share extraordinary pigment-like optical properties in the long-wavelength UV-C spectral region. These include strong photon absorption and rapid (sub-pico-second) dissipation of the induced electronic excitation energy into heat through peaked conical intersections. These properties have been attributed to a "natural selection" of molecules resistant to the dangerous UV-C light incident on Earth's surface during the Archean. In contrast, the "thermodynamic dissipation theory for the origin of life" argues that, far from being detrimental, UV-C light was, in fact, the thermodynamic potential driving the dissipative structuring of life at its origin. The optical properties were thus the thermodynamic "design goals" of microscopic dissipative structuring of organic UV-C pigments, today known as the "fundamental molecules of life", from common precursors under this light. This "UV-C Pigment World" evolved towards greater solar photon dissipation through more complex dissipative structuring pathways, eventually producing visible pigments to dissipate less energetic, but higher intensity, visible photons up to wavelengths of the "red edge". The propagation and dispersal of organic pigments, catalyzed by animals, and their coupling with abiotic dissipative processes, such as the water cycle, culminated in the apex photon dissipative structure, today's biosphere.

Eggshell-enhanced composites: Innovative radiation shielding materials for diagnostic X-ray applications

Concrete, a widely-utilized construction material for diagnostic room, heavily relies on Portland cement which is a major contributor to carbon emissions. Thus, this study focused on replacing cement with combination with clay (bentonite and kaolin) and eggshell powder (ESP) as possible shielding materials for diagnostic x-rays. 2 cm blocks are made from combination of clay-ESP, clay-cement and cement-ESP with replacement portions of 0%, 25%, 50% and 75%. Radiation shielding parameters (RAR, LAC, MAC and HVL) of these samples are investigated using a general x-ray machine at 60, 80, 100 and 120 kVp. In addition, elemental composition and compressive strength test are also performed on the blocks. As a result, between all combination, cement-ESP shows the highest RAR, LAC and MAC, however addition of ESP in cement did not show a significant photon absorption capability. Meanwhile, addition of ESP in the mixing portion for both clay results the RAR and MAC to increase due to presence of Si and Ca element in the blocks. In addition, clay-cement combination shows comparable shielding properties value and compressive strength to pure cement block. Therefore, since the objective of this study is to substitute cement with an environmentally friendly material, this particular combination is adequate for serving as a protective barrier for diagnostic purposes.

In situ fabrication of oxygen deficient Bi2MoO6/InVO4/CeVO4 dual S-scheme ternary heterostructure for robust photocatalytic H2 and H2O2 production

Mild in situ synthesis of ternary dual S-scheme heterostructure photocatalyst with high redox ability of photo-excitons is a pragmatic approach for achieving rapid activation of tenacious atmospheric molecules. In the present study, a series of Bi2MoO6/InVO4/CeVO4 ternary heterostructures were constructed by in situ deposition of Bi2MoO6 nanoplates over one pot synthesised InVO4/CeVO4 using a facile oil bath heating method. The as-synthesised heterostructure materials were comprehensively characterised to understand their structural, optical, electrochemical and morphological properties. The ternary heterostructure displayed a distinct morphology consisting of Bi2MoO6 nanoplates, CeVO4 nanosheets and InVO4 nanorods. The significant intergrowth among the constituent phases through the in situ coupling strategy also led to the construction of tight interfacial microscopic junctions. The important attributes of the ternary heterostructures included intense photon absorption in whole UV–visible region, drastic decrease in photogenerated charge recombination and higher excited state lifetime. Both InVO4 and CeVO4 individually as well as the ternary heterostructure contained surface oxygen vacancies that further promoted efficient charge separation and activation of atmospheric molecules. The optimised ternary photocatalyst displayed 2314 μmol/g/h H2 generation and 1700 μM/g/h H2O2 production which are 12–86 and 11–27 times higher than the pristine semiconductors, respectively. Detailed band position assessment and radical entrapment analysis suggested the occurrence of a dual S-scheme charge transfer mechanism that rationally accounted for the remarkable enhancement in the photocatalytic performance.

Spin-related excited-state phenomena in photochemistry.

The spin of electrons plays a vital role in chemical reactions and processes, and the excited state generated by the absorption of photons shows abundant spin-related phenomena. However, the importance of electron spin in photochemistry studies has been rarely mentioned or summarized. In this review, we briefly introduce the concept of spin photochemistry based on the spin multiplicity of the excited state, which leads to the observation of various spin-related photophysical properties and photochemical reactivities. Then, we focus on the recent advances in terms of light-induced magnetic properties, excited-state magneto-optical effects and spin-dependent photochemical reactions. The review aims to provide a comprehensive overview to utilize the spin multiplicity of the excited state in manipulating the above photophysical and photochemical processes. Finally, we discuss the existing challenges in the emerging field of spin photochemistry and future opportunities such as smart magnetic materials, optical information technology and spin-enhanced photocatalysis.

Growth and photoelectrical properties of CsPbBr3-xIx (0 ≤ x < 1) single crystals

The all-inorganic halide perovskite CsPbBr3 possesses excellent optoelectronic characteristics and has a high opportunity for application in a variety of photoelectric devices. CsPbBr3 is known for its relatively low ionic migration and higher resistivity compared to other perovskite compositions. In addition, the performance in X-ray detectors can be further improved by the addition of I- dopants. The addition of I- dopants has been shown to be an effective way to improve these properties. The vertical Bridgman method was used to grown I--doped CsPbBr3 crystals. The crystal structure, optical characteristics, electrical characteristics, and X-ray detection capabilities of CsPbBr3-xIx (0 ≤ x < 1) single crystals were all systematically investigated. The results indicate that I--doping can adjust the band gap, increase the resistivity and carrier mobility, and reduce the trap density and dark current, providing the possible application of halide perovskite in various optoelectronic devices.

Precursor engineering for soft selective synthesis of phase pure metal-rich digenite (Cu9S5) and djurleite (Cu31S16) nanocrystals and investigation of their photo-switching characteristics.

Copper sulfide nanostructures have evolved as one of the most technologically important materials for energy conversion and storage owing to their economic and non-toxic nature and superior performances. This paper presents a direct, scalable synthetic route aided by a single source molecular precursor (SSP) approach to access copper sulfide nanomaterials. Two SSPs, CuX(dmpymSH)(PPh3)2 (where X = Cl or I), were synthesized in quantitative yields and thermolyzed under appropriate conditions to afford the nanostructures. The analysis of the nanostructures through pXRD, EDS and XPS suggested that phase pure digenite (Cu9S5) and djurleite (Cu31S16) nanostructures were isolated from -Cl and -I substituted SSPs, respectively. The morphologies of the as-synthesized nanomaterials were investigated using electron microscopy techniques (SEM and TEM). DRS studies on pristine materials revealed blue shifted optical band gaps, which were found to be optimum for photoelectrochemical application. A prototype photoelectrochemical cell fabricated using the pristine nanostructures exhibited a stable photo-switching property, which presents these materials as suitable economic and environmentally friendly photon absorber materials.

Effects of heating rate and deposition cycle on the structural, optical, and photoelectrocatalytic properties of electrodeposited hematite films

In this research, electrodeposited hematite films were prepared at voltammetry deposition cycles of 60 and calcined at 550 °C in a furnace after ramping the temperature at the rates of 2 °C/min, 10 °C/min, 35 °C/min, and rapid heating of about 100 °C/min. Additional samples were fabricated at deposition cycles of 15, 30, and 80, and also calcined at 550⁰C at a heating rate of 10⁰C/min. The impact of heating rate and deposition cycle number variations on the structural, optical, and photoelectrocatalytic (PEC) properties of the hematite films were assessed. All the films' X-ray diffraction (XRD) measurements showed strong peaks at the lattice planes (104) and (110), verifying hematite's rhombohedral crystal structure. The films prepared at the heating rate of 10⁰C/min boosted the crystallization of the films by 47.2 % relative to the ones prepared at 2⁰C/min. An increase in the deposition cycle number resulted in increasing film thickness and the sample’s crystallization. An indirect bandgap of 1.94–2.1 eV was estimated for the samples, with the least value obtained for the films treated at the heating rate of 10⁰/min and deposition cycles of 60. The same samples also yielded the largest photocurrent density of 26.2 μA/cm2 at 1.23 V vs. reversible hydrogen electrode (RHE), while the photoanodes fabricated at 2 °C/min exhibited the lowest photo-activity. The enhanced photocurrent observed for the films has been associated with high crystallinity, improved photon absorption, reduced flatband potential, and increased charge separation at the film’s surface. This research underscores the importance of optimizing both the heating rate and deposition cycle numbers in the fabrication of electrodeposited photoelectrodes for PEC applications.

Concentration Dependence Orange Light Generation Through Sm3+‐Doped Soda Lime Alumino Borate Glasses for Orange Laser Medium Material

The melt‐quenching technique is used to fabricate calcium sodium aluminum borate glasses (Sm: ANCB) doped with varying concentrations of Sm3+ ions. Characteristics of ANCBSm glasses, including density, molar volume, refractive index, absorption, emission (via visible light, X‐ray, and proton excitation), decay time, and CIE color coordinates, are analyzed. The density, molar volume, and refractive index of ANCBSm glass increased with Sm2O3 concentration. Sm3+ ions enabled photon absorption in both visible and NIR regions, with a strong reddish‐orange emission at 600 nm due to the 6H5/2 → 6P3/2 transition under various excitations. X‐ray excitation is also compared with BGO scintillation crystals. The J–O theory predicted the radiative properties of Sm3+ ion emission levels. Decay curves of the 6H5/2 levels showed a single exponential nature with a millisecond‐order lifetime. CIE chromaticity of ANCBSm glasses is in the reddish‐orange region. ANCBSm glasses have potential applications in orange laser medium material.

Magnetotransport of fluxoids in intermediate-phase type-II superconducting NbN thin films around Tc

The mixed state transport properties of type-II superconductors are strongly influenced by the dynamic behavior of quantized magnetic fluxoids around the critical temperature (Tc), where a combination of normal and superconducting properties is exhibited. To understand the mixed state transport properties of type-II superconducting NbN ultrathin films (2D) we measured sheet resistance (RxxM) and Hall resistance (RxyM) of a 5-nm-thick NbN film around Tc (10.75 K) at temperatures 10.40, 10.68, and 10.77 K. Hall resistance (HR) was measured in external out-of-plane and in-plane magnetic fields up to 6 T, using 100 µA and 1 mA driving current in Van der Pauw geometry. The electric field of applied bias and Lorentz force of applied external magnetic field causes a movement of the normal conducting electrons within each fluxoid. The moving fluxoids cause dissipation and generation of Hall voltage. We developed a macroscopic analysis of the Hall resistance arising from fluxoids, to advance the differentiation between dissipating current and superconducting currents in type-II superconductors at Tc. We have extracted the number of normal conducting carriers per fluxoid and areal density and mobility of the fluxoids in dependence on the external magnetic field. This differentiation provides valuable insights into the dissipation mechanisms observed during transport measurements, e.g., after localized heating due to single photon absorption in nanostructured type-II superconductors. Furthermore, the developed macroscopic analysis of Hall resistance of fluxoids shows promising potential for investigating the fundamental aspects of fluxoid-defect interactions in type-II superconductors. Published by the American Physical Society 2024

Understanding Photovoltage Enhancement in Metal-Insulator Semiconductor Photoelectrodes with Metal Nanoparticles.

A metal-insulator-semiconductor (MIS) structure holds great potential to promote photoelectrochemical (PEC) reactions, such as water splitting and CO2 reduction, for the storage of solar energy in chemical bonds. The semiconductor absorbs photons, creating electron-hole pairs; the insulator facilitates charge separation; and the metal collects the desired charge and facilitates its use in the electrochemical reaction. Despite these attractive features, MIS photoelectrodes are significantly limited by their photovoltage, a combination of the voltage generated from photon absorption minus the potential drop across the insulator. Herein, we use multiscale continuum modeling of the carrier, electrolyte, and interfacial transport to identify strategies for mitigating the deleterious potential drop across the insulator and enabling high MIS photovoltages. To this end, we model Ni/SiO2/n-Si photoanodes that employ a planar Ni film or Ni nanoparticles (np-MIS) and validate both models using experimental polarization curves and photovoltage measurements from the literature. The simulations reveal that the insulator potential drop is lower and hence achieves higher photovoltages for np-MIS structures than MIS structures because the electrolyte screens charge trapped at defect states between the semiconductor and the insulator. This electrolyte charge screening phenomenon can be further leveraged by using low loadings or small nanoparticles, which not only minimize the interfacial potential drop but also improve the photocurrent by enabling more light absorption. These insights contribute to the optimization of the np-MIS structures for sustainable energy conversion.