Anisotropic Mobility Research Articles

Atomistic-informed phase field modeling of magnesium twin growth by disconnections

The nucleation and propagation of disconnections play an essential role during twin growth. Atomistic methods can reveal such small structural features on twin facets and model their motion, yet are limited by the simulation length and time scales. Alternatively, mesoscale modeling approaches (such as the phase field method) address these constraints of atomistic simulations and can maintain atomic-level accuracy when integrated with atomic-level information. In this work, a phase field model is used to simulate the disconnection-mediated twinning, informed by molecular dynamics (MD) simulations. This work considers the specific case of the growth of {101¯2} twin in magnesium. MD simulations are first conducted to obtain the orientation-dependent interface mobility and motion threshold, and to simulate twin embryo growth and collect facet velocities, which can be used for calibrating the continuum model. The phase field disconnections model, based on the principle of minimum dissipation potential, provides the theoretical framework. This model incorporates a nonconvex grain boundary energy, elasticity and shear coupling, and simulates disconnections as a natural emergence under the elastic driving force. The phase field model is further optimized by including the anisotropic interface mobility and motion threshold suggested by MD simulations. Results agree with MD simulations of twin embryo growth in the aspects of final twin thickness, twin shape, and twin size, as well as the kinetic behavior of twin boundaries and twin tips. The simulated twin microstructure is also consistent with experimental observations, demonstrating the fidelity of the model.

First-Principles Study on Strain-Induced Modulation of Electronic Properties in Indium Phosphide.

Indium phosphide (InP) is widely utilized in the fields of electronics and photovoltaics due to its high electron mobility and high photoelectric conversion efficiency. Strain engineering has been extensively employed in semiconductor devices to adjust physical properties and enhance material performance. In the present work, the band structure and electronic effective mass of InP under different strains are investigated by ab initio calculations. The results show that InP consistently exhibits a direct bandgap under different strains. Both uniaxial strain and biaxial tensile strain exhibit linear effects on the change in bandgap values. However, the bandgap of InP is significantly influenced by uniaxial compressive strain and biaxial tensile strain, respectively. The study of the InP bandgap under different hydrostatic pressures reveals that InP becomes metallic when the pressure is less than -7 GPa. Furthermore, strain also leads to changes in effective mass and the anisotropy of electron mobility. The studies of electronic properties under different strain types are of great significance for broadening the application of InP devices.

Anisotropic nonlinear optical responses of Ta2NiS5 flake towards ultrafast logic gates and secure all-optical information transmission

Abstract Optical logic gates based on nonlinear optical property of material with ultrafast response speed and excellent computational processing power can break the performance bottleneck of electronic transistors. As one of the layered 2D materials, Ta2NiS5 exhibits high anisotropic mobility, exotic electrical response, and intriguing optical properties. Due to the low-symmetrical crystal structures, it possesses in-plane anisotropic physical properties. The optical absorption information of Ta2NiS5 is investigated by anisotropic linear absorption spectra, femtosecond laser intensity scanning (I-scan), and non-degenerate pump-probe technology. The I-scan results show a distinct maximum of ∼4.9 % saturable absorption (SA) and ∼4 % reverse saturable absorption (RSA) at different polarization directions of the incident laser. And, these unique nonlinear optical (NLO) properties originate from the anisotropic optical transition probability. Furthermore, the novel Ta2NiS5-based all-optical logic gates are proposed by manipulating the NLO absorption processes. And, the all-optical OR and NOR logic gates possess an ultrafast response speed approaching 1.7 THz. Meanwhile, an all-optical information transmission method with higher security and accuracy is achieved, which has promising potential to avoid the disclosure of information. This work provides a new path for designing versatile and novel optical applications based on Ta2NiS5 materials.

Design of biphenylene-derived tunable dirac materials

The exploration of carbon allotropes has unveiled a series of two-dimensional (2D) materials with unique electronic and mechanical properties, yet the need for stable structures with tailored electronic properties persists. In this study, we introduce a new class of 2D carbon allotropes derived from the biphenylene network (BPN), incorporating acetylenic linkages to tune their structural and electronic characteristics. Through density functional theory calculations, we identified ten novel BPN-derived structures that exhibit both energetic and dynamic stability, confirmed by cohesive energy and phonon spectrum analyses. Among them, BPN-02 and BPN-04 are metallic, featuring critically-tilted type-III Dirac cones under ∼5 % biaxial strain, while BPN-22 is a semiconductor with a band gap of 0.95 eV and exhibits highly anisotropic carrier mobility. Additionally, these structures demonstrate significant anisotropy in their elastic properties, further distinguishing them from other 2D carbon materials like graphene. Our findings suggest that these novel BPN-based structures have strong potential for next-generation electronic and optoelectronic applications, providing new avenues for the design and synthesis of advanced carbon materials.

High performance self-driven broadband photodetector for polarized imaging based on novel ZrS3/ReSe2 van der Waals heterojunction

The distinctive characteristics of anisotropic two-dimensional (2D) materials, including in-plane anisotropy of optical absorption and carrier mobility, render them exceptionally suitable for application in the field of polarization detection and as a novel platform for the polarization imaging. Meanwhile, the consolidation of diverse functionalities within a single photodetector is highly anticipated to meet the demands of some special scenarios. Herein, a novel ZrS3/ReSe2 van der Waals (vdWs) heterostructure device was successfully constructed to realize polarization-sensitive, self-powered, and broadband photodetection and imaging. Owing to the built-in electric field of the type-II band alignment within the heterojunction, the device achieves a self-powered photoresponse ranging from 300 to 980 nm, an ultralow dark currentt ∼1 pA, and a commendable rise/decay time of 0.35/0.28 ms. Additionally, it has been demonstrated that the self-driven photodetector possesses a polarization-sensitivity with a notable anisotropic ratio about 2.02 (1.98) under 490 nm (980 nm) light illumination with zero bias, coupled with an excellent repeatability and stability. Furthermore, we also demonstrate the polarization imaging capabilities of the device in visible and near-infrared spectrum, realizing a contrast-enhanced degree of linear polarization imaging. This work paves a new platform to develop heterojunction photodetectors for high performance polarization-sensitive photodetection and next-generation polarized imaging.

Piezoelectric GaGeX2 (X = N, P, and As) semiconductors with Raman activity and high carrier mobility for multifunctional applications: a first-principles simulation.

In the present work, we propose GaGeX2 (X = N, P, As) monolayers and explore their structural, vibrational, piezoelectric, electronic, and transport characteristics for multifunctional applications based on first-principles simulations. Our analyses of cohesive energy, phonon dispersion spectra, and ab initio molecular dynamics simulations indicate that the three proposed structures have good energetic, dynamic, and thermodynamic stabilities. The GaGeX2 are found as piezoelectric materials with high piezoelectric coefficient d 11 of -1.23 pm V-1 for the GaGeAs2 monolayer. Furthermore, the results from electronic band structures show that the GaGeX2 have semiconductor behaviours with moderate bandgap energies. At the Heyd-Scuseria-Ernzerhof level, the GaGeP2 and GaGeAs2 exhibit optimal bandgaps for photovoltaic applications of 1.75 and 1.15 eV, respectively. Moreover, to examine the transport features of the GaGeX2 monolayers, we calculate their carrier mobility. All three investigated GaGeX2 systems have anisotropic carrier mobility in the two in-plane directions for both electrons and holes. Among them, the GaGeAs2 monolayer shows the highest electron mobilities of 2270.17 and 1788.59 cm2 V-1 s-1 in the x and y directions, respectively. With high electron mobility, large piezoelectric coefficient, and moderate bandgap energy, the GaGeAs2 material holds potential applicability for electronic, optoelectronic, piezoelectric, and photovoltaic applications. Thus, our findings not only predict stable GaGeX2 structures but also provide promising materials to apply for multifunctional devices.

Ultrahigh carrier mobility and anisotropy of the layered semiconductor ATiN2 (A = Ca, Sr and Ba)

Semiconductors with a suitable band gap and high carrier mobility are highly desirable in the electronics, optoelectronic and photovoltaic applications. The mechanical, electronic, optical and transport properties of the layered nitrides ATiN2 (A = Ca, Sr, and Ba) have been systematically studied by theoretical calculations. These nitrides show good ductility with moderate moduli, larger Poisson's ratio than 0.26 and Pugh's modulus ratio exceeding 1.75. CaTiN2 and SrTiN2 are direct bandgap semiconductors, while BaTiN2 is an indirect bandgap semiconductor, showing suitable band gaps (1.54–1.78 eV) and band edge positions for optoelectronic and photocatalytic water-splitting applications. More intriguingly, they possess superhigh carrier mobility with remarkable anisotropy. Particularly, the in-plane electron mobility reaches an ultrahigh order of 104 cm2V−1s−1, whereas those along the out-of-plane direction are almost zero. In addition, the hole mobilities are also very large along the in-plane direction and the anisotropic ratios are as high as about 30 for all these nitrides. Furthermore, these ATiN2 nitrides exhibit high optical absorption coefficients (∼105 cm−1) and lower exciton binding energies. Due to the suitable band gaps and band alignments, ultrahigh carrier mobility and huge anisotropy, excellent visible light absorption performance, the ATiN2 nitrides will be promising candidate semiconductors in electronics, optoelectronic, photovoltaic and photocatalytic applications.

Two-dimensional tetragonal carbon nitride semiconductors with fascinating electronic/optical properties and low thermal conductivity

Abstract Exploring two-dimensional (2D) tetragonal carbon nitride materials is significant for unlocking new physical properties beyond those offered by traditional hexagonal lattices. In this work, we propose three theoretically stable 2D carbon nitride monolayers with tetragonal lattices, namely T-C3N, P-C3N, and PH-C5N4. Electronic structure calculations indicate that all three monolayers exhibit semiconducting characteristics, with T-C3N showing interesting flat band features. Additionally, these three carbon nitrides exhibit anisotropic and high carrier mobilities and excellent light absorption capabilities in the visible-light and near-infrared regions. Meanwhile, the calculated thermal conductivity (κp) of PH-C5N4 is 63.9 Wm−1K−1 at room temperature, significantly outperforming T-C3N (12.2 Wm−1K−1) and P-C3N (18.9 Wm−1K−1). Phonon scattering rates and Grüneisen parameters confirm the origin for the relatively high κp in PH-C5N4. Our study proposes three tetragonal carbon nitride structures with novel physical properties, which lays a theoretical foundation for the multifunctional applications of 2D carbon nitride materials.

A new type of pentagonal structure HgS2 monolayer with abundant active sites and low Gibbs free energy for photocatalytic water splitting

Discovery of new two-dimensional (2D) materials not only has important fundamental research significance but also has promising application prospects. Through systematic structure searching combined with density functional theory calculations and simulations, we predict a new 2D monolayer HgS2 material featuring with a previously unreported type of pentagonal structure with orthorhombic P21212 symmetry. The penta-HgS2 monolayer shows good thermal, thermodynamic, mechanical and dynamic stabilities, exhibiting ferroelastic phase transition with an ultralow switching energy barrier (about 1 meV/atom), high ultimate strength of 12 N/m, moderate indirect band gap of 2.25 eV. In addition, the penta-HgS2 monolayer shows significantly anisotropic carrier mobility with a large anisotropy ratio of 98.5 along the y direction. More importantly, the penta-HgS2 monolayer exhibits abundant catalytic active sites, low Gibbs free energy (ΔGH ranging from 0.656 to 1.687 eV) for hydrogen evolution reactions, excellent solar light absorption capacity (∼105 cm−1) with the solar-to-hydrogen efficiency reaching up to 11.83%. The excellent ultimate tensile ability and the ultralow ferroelastic phase transition energy barrier implies penta-HgS2 monolayer material can be used to manufacture flexible mechanical and nanoelectronic devices. The suitable band edge alignments, ultrahigh carrier mobility anisotropy, high catalytic activity and excellent visible light adsorption performance indicate that penta-HgS2 monolayer is a promising candidate photocatalyst for high-performance photocatalytic water splitting. The present work not only supplements a new member to the 2D pentagonal structure material family, but also points out its promising applications in nanoscale devices and photocatalytic hydrogen productions.

Anisotropic weak antilocalization in thin films of the Weyl semimetal TaAs

Device applications of topological semimetals await the development of epitaxial films in the ultrathin limit. Weak antilocalization (WAL) has been extensively utilized in the understanding of surface states in topological insulators and shows promise for use in elucidating the properties of thin film topological semimetals. Here, we report insights from WAL in the surface state and interface transport properties of our recently synthesized single-crystal-like thin films of the Weyl semimetal TaAs(001) grown on GaAs(001). We observe robust, anisotropic WAL in the magnetoconductance from 2 to 20 K in films from 10 to 200 nm thick. We link the anisotropic WAL magnetoconductance to anisotropic mobility stemming from film topography. We conclude that WAL in the films likely originates from the antilocalization of topological surface states. The WAL magnetoconductance is impacted by the film thickness and topography, solidifying the useful role of WAL in the study of topological semimetal/semiconductor heterointerfaces. Published by the American Physical Society 2024

Janus piezoelectric ZrSi[formula omitted]H ([formula omitted] N, P, As) semiconductors with Raman response and high carrier mobility by a first-principles investigation

Motivated by the growing demand for new materials with novel properties, in the present work we design a series of two-dimensional Janus ZrSiZ3H (Z= N, P, As) monolayers and examine their physical features by using first-principle investigations. All three ZrSiN3H, ZrSiP3H, and ZrSiAs3H monolayers have good thermodynamic and mechanical stabilities from the ab initio molecular dynamics and obtained elastic coefficients results. The ZrSiZ3H systems also exhibit Raman response and piezoelectricity. Among three monolayers, the ZrSiAs3H possesses the highest in-plane and extra out-of-plane piezoelectric effects with d11 and d31 values of −7.88 pm/V and −0.19 pm/V, respectively. In addition, from calculated band structures, the ZrSiZ3H systems are found as semiconductors with bandgap energies varying from 0.90 to 3.00 eV at the Heyd–Scuseria–Ernzerhof theoretical level. The Zr-d and P-p orbitals give significant contributions to the band edge formation of all proposed configurations. The electrons can escape more easily from the H side than from the Z side due to their lower work functions. Notably, the ZrSiZ3H structures show anisotropic carrier mobilities along two in-plane axes. The ZrSiP3H and ZrSiAs3H monolayers exhibit high electron mobility in the x direction of 6925.53 and 6291.17 cm2V−1s−1, respectively. Our findings highlight the ZrSiZ3H systems as stable piezoelectric and electronic semiconductors for technological applications.

Phase-Field Simulation of Grain Growth in Uranium Silicide Nuclear Fuel

Uranium silicide (U3Si2) is regarded as a viable fuel option for improving the safety of nuclear power plants. In the present work, phase-field simulations were employed to investigate grain growth phenomena, encompassing both isotropic and anisotropic grain growth. In simulations of isotropic grain growth, it is commonly assumed that the energy and mobility of the grain boundaries (GBs) remain constant, represented by average values. The calculated grain growth kinetic rate constant, K, exhibits a close correspondence with the experimental measurements, indicating a strong agreement between the two. In simulations of anisotropic grain growth, the values of GB energy and mobility are correlated with the angular disparity between GBs. The simulation results demonstrated that the growth rate of U3Si2 can be influenced by both the energy anisotropy and mobility anisotropy of GBs. Furthermore, the anisotropy in mobility results in a greater prevalence of low-angle GB distribution in comparison to high-angle GBs. However, the energy anisotropy of GBs does not impact the frequency distribution of the angle difference between GBs.

Using a Flexible Fountain Pen to Directly Write Organic Semiconductor Patterns with Crystallization Regulated by the Precursor Film.

Organic semiconductor (OSC) films fabricated by meniscus-guided coating (MGC) methods are suitable for cost-effective and flexible electronics. However, achieving crystalline thin films by MGC methods is still challenging because the nucleation and crystal growth processes are influenced by the intertwined interactions among solvent evaporation, stochastic nucleation, and the fluid flow instabilities. Herein, a novel flexible fountain pen with active ink supply is designed and used to print OSCs. This direct-write method allows the flexible pen tip to contact the substrate, maintaining a robust meniscus by eliminating the gap found in conventional MGCs. An in situ optical microscopy observation system shows that the precursor film plays a critical role on the crystallization and the formation of coffee rings and dendrites. The computational fluid dynamics simulations demonstrate that the microstructure of the pen promotes extensional flows, facilitating mass transport and crystal alignment. Highly-aligned ribbon-shaped crystals of a small organic molecule (TIPS-pentacene), as well as a semiconducting polymer (N2200) with highly-ordered orientations, have been successfully printed by the flexible fountain pen. Organic field-effect transistors based on the flexible pen printed OSCs exhibit high performances and strong anisotropic mobility. In addition, the flexible fountain pen is expandable for printing multiple lines or large-area films.

Rapid Estimation of the Intermolecular Electronic Couplings and Charge-Carrier Mobilities of Crystalline Molecular Organic Semiconductors through a Machine Learning Pipeline.

Organic semiconductors (OSC) offer tremendous potential across a wide range of (opto)electronic applications. OSC development, however, is often limited by trial-and-error design, with computational modeling approaches deployed to evaluate and screen candidates through a suite of molecular and materials descriptors that generally require hours to days of computational time to accumulate. Such bottlenecks slow the pace and limit the exploration of the vast chemical space comprising OSC. When considering charge-carrier transport in OSC, a key parameter of interest is the intermolecular electronic coupling. Here, we introduce a machine learning (ML) model to predict intermolecular electronic couplings in organic crystalline materials from their three-dimensional (3D) molecular geometries. The ML predictions take only a few seconds of computing time compared to hours by density functional theory (DFT) methods. To demonstrate the utility of the ML predictions, we deploy the ML model in conjunction with mathematical formulations to rapidly screen the charge-carrier mobility anisotropy for more than 60,000 molecular crystal structures and compare the ML predictions to DFT benchmarks.

Electronic Properties of Group-III Nitride Semiconductors and Device Structures Probed by THz Optical Hall Effect.

Group-III nitrides have transformed solid-state lighting and are strategically positioned to revolutionize high-power and high-frequency electronics. To drive this development forward, a deep understanding of fundamental material properties, such as charge carrier behavior, is essential and can also unveil new and unforeseen applications. This underscores the necessity for novel characterization tools to study group-III nitride materials and devices. The optical Hall effect (OHE) emerges as a contactless method for exploring the transport and electronic properties of semiconductor materials, simultaneously offering insights into their dielectric function. This non-destructive technique employs spectroscopic ellipsometry at long wavelengths in the presence of a magnetic field and provides quantitative information on the charge carrier density, sign, mobility, and effective mass of individual layers in multilayer structures and bulk materials. In this paper, we explore the use of terahertz (THz) OHE to study the charge carrier properties in group-III nitride heterostructures and bulk material. Examples include graded AlGaN channel high-electron-mobility transistor (HEMT) structures for high-linearity devices, highlighting the different grading profiles and their impact on the two-dimensional electron gas (2DEG) properties. Next, we demonstrate the sensitivity of the THz OHE to distinguish the 2DEG anisotropic mobility parameters in N-polar GaN/AlGaN HEMTs and show that this anisotropy is induced by the step-like surface morphology. Finally, we present the temperature-dependent results on the charge carrier properties of 2DEG and bulk electrons in GaN with a focus on the effective mass parameter and review the effective mass parameters reported in the literature. These studies showcase the capabilities of the THz OHE for advancing the understanding and development of group-III materials and devices.

Unraveling intrinsic mobility limits in two-dimensional (AlxGa1−x)2O3 alloys

β-(AlxGa1−x)2O3 presents a diverse material characterization exhibiting exceptional electrical and optical properties. Considering the miniaturization of gallium oxide devices, two-dimensional (AlxGa1−x)2O3 alloys, as a critical component in the formation of two-dimensional electron gases, demand an in-depth examination of their carrier transport properties. Herein, we investigate the temperature-dependent carrier mobility and scattering mechanisms of quasi-two-dimensional (2D) (AlxGa1−x)2O3 (x ≤ 5) by solving the Boltzmann transport equation from first-principles. Anisotropic electron mobility of 2D (AlxGa1−x)2O3 is limited to 30−80 cm2/Vs at room temperature, and it finds that the relatively large ion-clamped dielectric tensors (Δɛ) suggest a major scattering role for polar optical phonons. The mobility of 2D (AlxGa1−x)2 is less than that of bulk β-(AlxGa1−x)2O3 and shows no quantum effects attributed to the dangling bonds on the surface. We further demonstrate that the bandgap of 2D (AlxGa1−x)2O3 decreases with the number of layers, and the electron localization function also shows an anisotropy. This work comprehensively interprets the scattering mechanism and unintentional doping intrinsic electron mobility of (AlxGa1−x)2O3 alloys, providing physical elaboration and alternative horizons for experimental synthesis, crystallographic investigations, and power device fabrication of 2D (AlxGa1−x)2O3 atomically thin layered systems.

Tunable in-plane anisotropy of quasiparticles in twisted MoS2/CrOCl heterostructures

Twisted isotropic-anisotropic van der Waals heterostructures provide a platform for controlling the electronic and phononic properties of 2D materials and inducing in-plane anisotropy in some isotropic materials. Herein, angle-resolved polarized Raman spectroscopy and photoluminescence spectroscopy are used to investigate the induced in-plane anisotropy of the quasiparticles in the twisted MoS2/CrOCl heterostructures. Both the phonons (Eg2 MoS2 and Ag1 MoS2 modes) and excitons (A and B excitons) in MoS2 represent a strong in-plane orientation dependence, and the maximum intensities are along the [100]CrOCl. The induced anisotropy ratios of phonons vary continuously in the range from 1.22 to 1.13 for the Eg2 MoS2 mode and 1.15 to 1.09 for the Ag1 MoS2 mode with changing twisted angles, which originate from the anisotropic carrier mobility induced by the localized charge distribution from the anisotropic CrOCl substrates, and are further tuned by the uniaxial local limit of charge carriers caused by 1D moiré pattern. Our findings provide a way to controllably regulate the induced in-plane optical anisotropy in heterostructures.

Unravelling the spatial directionality of urban mobility.

As it is central to sustainable urban development, urban mobility has primarily been scrutinised for its scaling and hierarchical properties. However, traditional analyses frequently overlook spatial directionality, a critical factor in city centre congestion and suburban development. Here, we apply vector computation to unravel the spatial directionality of urban mobility, introducing a two-dimensional anisotropy-centripetality metric. Utilising travel data from 90 million mobile users across 60 Chinese cities, we effectively quantify mobility patterns through this metric, distinguishing between strong monocentric, weak monocentric, and polycentric patterns. Our findings highlight a notable difference: residents in monocentric cities face increasing commuting distances as cities expand, in contrast to the consistent commuting patterns observed in polycentric cities. Notably, mobility anisotropy intensifies in the outskirts of monocentric cities, whereas it remains uniform in polycentric settings. Additionally, centripetality wanes as one moves from the urban core, with a steeper decline observed in polycentric cities. Finally, we reveal that employment attraction strength and commuting distance scaling are key to explaining these divergent urban mobility patterns. These insights are important for shaping effective policies aimed at alleviating congestion and guiding suburban housing development.

Stability of a dispersion of elongated particles embedded in a viscous membrane

We develop a mean-field model to examine the stability of a ‘quasi-2-D suspension’ of elongated particles embedded within a viscous membrane. This geometry represents several biological and synthetic settings, and we reveal mechanisms by which the anisotropic mobility of particles interacts with long-ranged viscous membrane hydrodynamics. We first show that a system of slender rod-like particles driven by a constant force is unstable to perturbations in concentration – much like sedimentation in analogous 3-D suspensions – so long as membrane viscous stresses dominate. However, increasing the contribution of viscous stresses from the surrounding 3-D fluid(s) suppresses such an instability. We then tie this result to the hydrodynamic disturbances generated by each particle in the plane of the membrane and show that enhancing subphase viscous contributions generates extensional fields that orient neighbouring particles in a manner that draws them apart. The balance of flux of particles aggregating versus separating then leads to a wave number selection in the mean-field model.

Exploration of two-dimensional XPY3 (X = Zn, Cd; Y[dbnd]S, Se) for photocatalytic water splitting

Two-dimensional (2D) materials are attracting much attention as emerging photocatalytic water splitting candidates in green and clean energy applications. In this work, we designed four 2D materials, ZnPS3, ZnPSe3, CdPS3 and CdPSe3, which possess high stability, moderate band-gaps (2.24–3.29 eV), and anisotropic carrier mobilities of 192.26 ─ 676.04 cm2/Vs. Besides, they also have suitable band edges of REDOX at PH = 0, which can simultaneously drive photocatalytic water splitting to produce H2 and O2, and show acceptable free energy for hydrogen evolution reaction (HER) of 0.89–1.20 eV. Moreover, monolayer ZnPSe3 and CdPSe3 can deliver strong absorption coefficients (∼105 cm−1) from visible to ultraviolet light. As a result, they have excellent solar-to-hydrogen efficiency of 18.39% and 19.70%, suggesting they are promising photocatalytic candidates for overall water splitting.