Optoelectronic Response Research Articles

Uncovering Integrated Dual-State ESIPT-Conductivity, Redox-Capacity, and Opto-Electronic Responses Toward Hg(II)/ Cr(III) of Aliphatic Fluorescent Polymers.

Excited-state intramolecular proton transfer (ESIPT)-associated dual-state emissive aliphatic dual-light emitting conducting polymers (DLECPs) having oxidation-reduction capacities are prepared polymerizing 2-acrylamido-2-methylpropane-1-sulfonic acid, methacrylic acid, and 2-methyl-3-(N-(2-methyl-1-sulfopropan-2-yl)acrylamido)propanoic acid monomers. Of as-synthesized DLECPs, nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectroscopies, fluorescent enhancements (I/I0), and computational investigation indicate intriguing photophysical features in DLECP3 (optimum composition). In DLECP3, ─CONH─, ─CON<, and ─COOH subluminophores are recognized by density-functional theory (DFT)/time-dependent-DFT calculations and experimental investigations. ESIPT-associated dual-state emission/conductivity, aggregation-enhanced emissions, selective opto-electronic responses toward Hg(II)/Cr(III) at 437/574nm, and redox properties of DLECP3 are supported by solid-state/solution spectroscopies, time-correlated single photon counting (TCSPC) measurements, dual-state excitation dependent emissions, microscopic images, electrochemical measurements, and DFT calculations. Here, preferential interaction of Hg(II)/Cr(III) with DLECP3 (amide)/DLECP3 (imidol) and reduction/oxidation of Hg(II)/Cr(III) to Hg(I)/Cr(VI) are substantiated by UV-vis, FTIR, and X-ray photoelectron spectroscopies; TCSPC measurements; NMR-titration; electrochemical studies; alongside computational calculations. The proton-electrical conductivities of DLECP3, Hg(II/I)-DLECP3, and Cr(III/VI)-DLECP3 in solids/solutions are 15.27 × 10-5/6.16 × 10-5, 19.60 × 10-5/25.52 × 10-5, and 26.69 × 10-5/27.60 × 10-5 S cm-1, respectively.

Charge-Selective 2D Heterointerface-Driven Multifunctional Floating Gate Memory for In Situ Sensing-Memory-Computing.

Flash memory, dominating data storage due to its substantial storage density and cost efficiency, faces limitations such as slow response, high operating voltages, absence of optoelectronic response, etc., hindering the development of sensing-memory-computing capability. Here, we present an ultrathin platinum disulfide (PtS2)/hexagonal boron nitride (hBN)/multilayer graphene (MLG) van der Waals heterojunction with atomically sharp interfaces, achieving selective charge tunneling behavior and demonstrating ultrafast operations, a high on/off ratio (108), extremely low operating voltage, robust endurance (105 cycles), and retention exceeding 10 years. Additionally, we achieve highly linear synaptic potentiation and depression, and observe the reversibly gate-tunable transitions between positive and negative photoconductivity. Furthermore, we employed the VGG11 neural network for in situ trained in-sensor-memory-computing to classify the CIFAR-10 data set, pushing accuracy levels comparable to pure digital systems. This work could pave the way for seamlessly integrated sensing, memory, and computing capabilities for diverse edge computing.

Exploring Through-Space Charge Transfer-Mediated Optoelectrochemical Properties of Dual-State Luminescent Aliphatic Polymers and Optoelectronic Responses toward Metal Ions.

Herein, natural-synthetic hybrid dual-state luminescent conducting polymers (DLCPs/DLCP1-DLCP8) possessing significant optoelectrochemical properties are strategically developed by the polymerization of prop-2-enamide, cis-butenedioic acid, 2-acrylamido-2-methylpropane-1-sulfonic acid, and in situ-generated 2-(3-acrylamidopropanamido)-2-methylpropane-1-sulfonic acid alongside the grafting of gum tragacanth. The spectroscopic data of aliphatic DLCPs affirm DLCP7 as the most stable supramolecular assembly endowing optoelectronic properties. Computational calculations identified -C(═O)NH-, -C(═O)OH, -OH, and -SO3H as subluminophores. The absorption spectra, excitation wavelength-/solvent-polarity-/concentration-dependent luminescence, solid state luminescence, aggregation-induced enhanced luminescence, and time-correlated single photon count (TCSPC) studies confirm the occurrence of aggregation-mediated intramolecular through-space charge transfer (ITSCT) in the excited state of DLCP7. Mulliken charge, natural bond orbital, dipole moments, and electronic potential surface analyses confirm the charge donor-acceptor system in DLCP7. Furthermore, the selective optoelectronic response of DLCP7 toward Ca2+/Cu(II) at 438/574 nm is explored using ultraviolet-visible spectra, TCSPC analyses, a dynamic light scattering study, and computational investigations. The chelation-enhanced luminescence and ITSCT inhibition are responsible for turn-on and turn-off detections of Ca2+ and Cu(II), respectively. Cu(II) → Cu(I) reduction in a DLCP7 solution is inferred from electrochemical and spectroscopic analyses. The conductivities of 9.65 × 10-5 S cm-1 (solid state) and 44.35 × 10-5 S cm-1 (solution) in DLCP7 are validated by current-voltage and electrochemical impedance measurements. Again, strong electronic conductivities of 43.89 × 10-5 S cm-1 (solid state)/53.34 × 10-5 S cm-1 (solution) and 45.42 × 10-5 S cm-1 (solid state)/64.81 × 10-5 S cm-1 (solution) are observed in Ca2+-DLCP7 and Cu(II)-DLCP7, respectively.

Near-Infrared Polarization-Sensitive Detection by All-Si Plasmonic Hot Electron Detectors.

Polarization-sensitive optoelectronic detection has been achieved by an all-Si detector in the NIR range, based on plasmon hot electron generation/internal photoemission effect. An advanced architecture with a specially designed anisotropic metasurface was developed and structurally optimized for maximizing the internal quantum efficiency (IQE). Assisted by finite difference time domain (FDTD) simulations, the well-designed device exhibits a maximum optical absorption of 80% around 1.45 μm, corresponding to an optical discrimination ratio of 120. Optoelectronic measurements show the peak responsivity and detectivity of 51.2 mA/W and 8.05 × 1010 cm Hz1/2/W, respectively, at 1.45 μm. A high polarization photocurrent ratio of 35 nm is also achieved at 1.55 μm. Moreover, the optoelectronic response can be tuned by a back-gate bias. Last but not least, we built up a model for theoretically estimating the IQE, which provides instructive guidance for further enhancing the optoelectronic performance of hot electron detectors.

Photoconductivity and Photovoltaic Effect Strengthened via Microstructural Cotuning in Ferroelectrics: Intuitively Assessed by Macroscopic Transparency.

Photoferroelectrics that involve strong light-matter coupling are regarded as promising candidates for realizing bulk photovoltaic and photoelectric effects via light absorption. Nonetheless, understanding the photoresponse mechanism or modulation of performance from a microscopic point of view is scarcely explored through quantification of macroscopic properties. Herein, we design a model material, Gd3+-doped (K0.5Na0.5)NbO3 ferroelectric-transparent ceramics, and present an advantageous strategy to enhance the optoelectronic coupling through joint modulations of lattice distortion and oxygen vacancies, along with inner defects and ferroelectric domains. Significantly, their microcosmic manipulation can be intuitively and facilely evaluated by the optical transparency of each ceramic. An approximately 104 fold increase in conductivity under ultraviolet irradiation was produced. Under the cocoupling between external physical fields, the synergy of photoelectric stimulation increased the photoconductivity of the ceramics by 13.89 times. Additionally, a significant increase (4.5-fold) in the current output from the photovoltaic effect was achieved via ferroelectric domains of moderate size, whose size could be easily assessed by optical transmittance. In situ microscopic observations confirmed that the configuration of oxygen vacancy-dependent ferroelectric domains contributes to the enhanced optoelectronic response. This research provides a distinct way to develop inexpensive optocoupler devices and meet the requirements for multifunctional integration in single photoferroelectrics.

Opto-electronic responses of large area WSe2 layers synthesized by chemical conversion of WO3 thin films

Atomically thin tungsten diselenide (WSe2) has drawn much interest due to its remarkable optical properties and potential applications in next-generation optoelectronics and energy harvesting devices. High-quality, wafer-scale synthesis of such two-dimensional (2D) semiconductors is necessary for their practical applications. Chemical vapor deposition (CVD) is a promising method for synthesizing large-area thin films of 2D materials where the constituent elements are of widely different vapor pressure. Herein, we demonstrate large-area synthesis of the 2H phase of WSe2 with a precise control over the 2D film thickness. The first step of this process is the deposition of tungsten trioxide (WO3) films of a well-defined thickness by thermal evaporation over large areas. The subsequent selenization of these films in an atmospheric pressure CVD reactor, yields high-quality uniform films of WSe2. The quality of these films is ascertained by measuring their characteristic Raman active vibrational modes and layer thickness dependent optical absorption and photoluminescence. The photoconductivity (PC) of these films has been measured with 405, 532 and 915 nm laser excitation. We note an increase in the PC of the films with their thickness. The best photoresponsivity and detectivity obtained are 11.3 mA/W and 1.42 × 108 Jones respectively. These results are promising to create photo-transistor arrays over large areas using such WO3 processed films.

Locally Phase-Engineered MoTe2 for Near-Infrared Photodetectors.

Transition-metal dichalcogenides (TMDs) are ideal systems for two-dimensional (2D) optoelectronic applications owing to their strong light-matter interaction and various band gap energies. New techniques to modify the crystallographic phase of TMDs have recently been discovered, allowing the creation of lateral heterostructures and the design of all-2D circuitry. Thus, far, the potential benefits of phase-engineered TMD devices for optoelectronic applications are still largely unexplored. The dominant mechanisms involved in photocurrent generation in these systems remain unclear, hindering further development of new all-2D optoelectronic devices. Here, we fabricate locally phase-engineered MoTe2 optoelectronic devices, creating a metal (1T') semiconductor (2H) lateral junction and unveil the main mechanisms at play for photocurrent generation. We find that the photocurrent originates from the 1T'-2H junction, with a maximum at the 2H MoTe2 side of the junction. This observation, together with the nonlinear IV-curve, indicates that the photovoltaic effect plays a major role in the photon-to-charge current conversion in these systems. Additionally, the 1T'-2H MoTe2 heterojunction device exhibits a fast optoelectronic response over a wavelength range of 700-1100 nm, with a rise and fall times of 113 and 110 μs, respectively, 2 orders of magnitude faster when compared to a directly contacted 2H MoTe2 device. These results show the potential of local phase-engineering for all-2D optoelectronic circuitry.

First-principles calculations to investigate optoelectronic of transition-metal half-Heusler alloys MTiSn (M = Pd and Pt) for optoelectronics applications

The structural, mechanical, optical, and electronic properties of half-Heuslers MTiSn (M = Pd and Pt) are investigated using FP-LAPW incorporating the GGA-PBE. MTiSn crystallize in ferromagnetic (FM) and cubic structure (F-43m; C1b) with lattice constants of 6.216 Å and 6.241 Å, respectively, in good agreement with the available data. Elastic constants Cij reveal that MTiSn meet the mechanical stability criteria with notable thermodynamic properties. Also, we have conducted a detailed analysis of optical properties, encompassing the dielectric function, absorption coefficient, optical conductivity, optical refractivity, and extinction coefficient. It is found that PtTiSn shows higher optical responses than PdTiSn at low and high energy ranges. In terms of electronic properties, MTiSn demonstrate narrow bandgap semiconductor characteristics with an indirect bandgap of Eg = 0.507 eV (M = Pd) and Eg = 0.782 eV (M = Pt). The notable optoelectronic responses have also been examined, indicating the high potential of MTiSn materials for optoelectronic applications.

Green Preparation of S, N Co-Doped Low-Dimensional C Nanoribbon/C Dot Composites and Their Optoelectronic Response Properties in the Visible and NIR Regions.

The green production of nanocomposites holds great potential for the development of new materials. Graphene is an important class of carbon-based materials. Despite its high carrier mobility, it has low light absorption and is a zero-bandgap material. In order to tune the bandgap and improve the light absorption, S, N co-doped low-dimensional C/C nanocomposites with polymer and graphene oxide nanoribbons (the graphene oxide nanoribbons were prepared by open zipping of carbon nanotubes in a previous study) were synthesized by one-pot carbonization through dimensional-interface and phase-interface tailoring of nanocomposites in this paper. The resulting C/C nanocomposites were coated on untreated A4 printing paper and the optoelectronic properties were investigated. The results showed that the S, N co-doped C/C nanoribbon/carbon dot hybrid exhibited enhanced photocurrent signals of the typical 650, 808, 980, and 1064 nm light sources and rapid interfacial charge transfer compared to the N-doped counterpart. These results can be attributed to the introduction of lone electron pairs of S, N elements, resulting in more transition energy and the defect passivation of carbon materials. In addition, the nanocomposite also exhibited some electrical switching response to the applied strain. The photophysical and doping mechanisms are discussed. This study provides a facile and green chemical approach to prepare hybrid materials with external stimuli response and multifunctionality. It provides some valuable information for the design of C/C functional nanocomposites through dimensional-interface and phase-interface tailoring and the interdisciplinary applications.

First-principle study of the ground-state crystal structure and optoelectronic response of CsPbX3 (X= Cl, Br, I) for photovoltaic applications

The optoelectronic response and ground state crystal structure of tetragonal (P4/mbm), orthorhombic (Pmnb) and monoclinic (P21/m) phases of CsPbX3 (X = Cl, Br, I) are studied for optoelectronic applications using first principle simulations. Electric field gradient (EFG) and magnetic hyperfine interactions are investigated to explore the charge distributions surrounding the nucleus and local magnetic environment of the atomic nucleus. The orthorhombic phase of these compounds is more stable having lowest ground-state energy compared to tetragonal and monoclinic phases. The understudied halide perovskites have direct band gap nature and spin orbit coupling (SOC) effect splits Pb-p and X-p orbitals at the edges of conduction and valence band (CB and VB) respectively. At the edge of VB, the strongly hybridized X-p and Pb-p orbital and direct band gap nature of CsPbX3 is excellent for the light absorption and photovoltaic (PV) applications. The n-i-p configuration (FTO/ETL/CsPbX3/HTL/Au) of the simulated structure shows that CsPbI3 has improved power conversion efficiency (PCE) of 22.48 % and 22.32 % and quantum efficiency (QE) about ∼80 % in tetragonal and monoclinic phases respectively. The Pb and Cs values of EFG tensor in z-direction (Vzz) are close to each other, which show that the distribution of electronic charge density is similar near these nuclei. Moreover, Cs-s orbital has negligible contribution and Pb-p and I-p orbitals have higher contribution in the hyperfine field (HFF). The negative HFF indicates the opposite HFF contribution.

Screening on optoelectronic and thermoelectric response of novel Zintl phase CaMg2Pn2 (Pn = P, As) for renewable energy applications: A first principles method

The study on the zintl compounds CaMg2Pn2 (Pn = P, As), compounds utilizing density functional theory (DFT) through the WIEN2k code comprehensively examines its structural, electronic, optical, and thermoelectric properties. Generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) potentials are used to determine the exchange-correlation potential. The electronic analysis of the CaMg2Pn2 compounds, reveals that this material behaves as a semiconductor, possessing an indirect band gap of 1.87 eV and 1.76 eV. The study of the optical properties of CaMg2Pn2, including its refractive index, extinction coefficient, electron energy loss, dielectric tensor, and optical conductivity, alongside the specific finding that it does not absorb energy below 2.60 eV, provides valuable insights. In addition, BoltzTrap is a software used to calculate the transport properties against temperature (200–1200K) and chemical potential of materials based on their electronic structures. The highest power-factor (PF) 5.57 × 1011 W/K2ms, 5.0 × 1011 W/K2ms at 300 K was attained for CaMg2Pn2 (Pn = P, As) compounds. These findings suggest that CaMg2Pn2 has potential as a thermoelectric material with interesting characteristics. Because of their exceptional optoelectronic as well as high PF values, this group of materials holds significant promise for applications in optoelectronic and thermal devices. Their properties suggest potential advancements in fields such as solar energy, light emission technologies, and efficient thermal management systems.

Conversion of preferred crystalline orientation by annealing and its impacts on the structural, electronic, and optical properties of pulsed laser-deposited CdO thin films

The impact of annealing on the preferred crystalline orientation as well as the structural, electronic, and optical properties of pulsed laser-deposited 150 ± 3 nm thick cadmium oxide (CdO) films was studied. X-ray diffraction analysis revealed that the annealed CdO films have smaller crystallite sizes, as their molecules at the grain boundaries possessed enough kinetic energy to rearrange their preferred crystalline orientation between (111) and (200). The atomic force microscopy and field emission scanning electron microscopy analyses revealed an enhancement in the active surface area with optimized grain boundaries by annealing which facilitates gas adsorption/desorption. DC electrical conductivity depends on the annealing process and reveals two different conduction mechanisms. The direct optical energy gap was decreased from 3.41 eV to 2.76 eV by annealing at 473 K which is greater than the theoretical value, i.e. 2.2 eV, for bulk CdO. The findings agree with the Burstein-Moss effect as a result of the increased carrier concentration following the generation of numerous oxygen vacancy sites and Cd interstitials. However, mutual charge carrier-impurity interaction and charge carrier Columb interaction contributed to narrowing the band gap by increasing the annealing temperature. The enhanced values of Urbach energy, optical packing density, dispersion parameters, optical conductivity, dissipation factor, oscillator strength, and lattice dielectric constant supported the effectiveness of the annealing process on tailoring optoelectronic responses in the infrared region for the CdO thin films for use in optoelectronic devices. Moreover, the calculated linear optical susceptibility, and nonlinear constants (i.e. third-order optical susceptibility and nonlinear refractive index) were the highest for CdO films annealed at 473 K. The improved value of the figure of merit, solar material protection factor, and solar skin protection factor for the CdO films, annealed at 473 K supports its use in several photovoltaic applications, including solar cells.

First principle investigations of opto-electronic and thermoelectric response of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds

We have investigated the structural, electronic, optical, and thermoelectric behavior of halide-based double perovskites A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds to reveal their potential in various opto-electronic and thermoelectric applications using first-principle calculations. For the computation of the various properties of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds, we have used approximations available within density functional theory (DFT). The energy bands and density of states have been used to elucidate the electronic response of the studied compounds, while the interpretation of optical properties is presented in terms of dielectric tensor, absorption coefficient, reflectivity, refraction and energy loss spectra. The investigated compounds exhibit a direct band gap within the energy range of 1.36 to 2.24 eV, indicating the promising nature of these compounds for diverse optoelectronic applications. Moreover, thermoelectric properties such as the figure of merit, power factor, Seebeck coefficient, specific heat, electric and thermal conductivity have also been computed for the studied compounds. Our investigation unveils the remarkable optoelectronic characteristics of the studied perovskites, which can be attributed to their advantageous bandgap and highly effective light absorption capabilities. Furthermore, these perovskites showcase exceptional thermodynamic stability, elevated electrical conductivity, favorable figure of merit (ZT) values, and reduced thermal conductivities. These findings suggest their suitability for applications in optoelectronic devices and thermoelectric applications. In this study, it is found that A2TlAsBr6 compounds exhibit significant absorption in the visible spectrum, rendering them more favorable for optoelectronic applications compared to A2TlAsCl6 compounds. Conversely, for thermoelectric applications, the Cl-based perovskites studied show greater promise than their Br-based counterparts. The modified Becke–Johnson (mBJ) potential emerges as the most precise approach for analyzing the electronic, optical, and thermoelectric characteristics of A2TlAsX6 (where A = K, Rb; X = Cl, Br) perovskites, surpassing other approximations utilized in present study.

Er3+/ Yb3+ co-doped multi-functional silica phosphate glass films for integrated photonic applications

The multi-component silicate glasses co-doped with Er3+/Yb3+ were fabricated as thin films by the spin coating technique, which was analyzed for their optoelectronic response. Their monolith counterparts synthesized by the sol-gel route were used for the electrical studies. The films evidenced nanocristobalite phases at low levels of doping. The film micrographs explicated gas-trapped circular dimensions on the surface, due to the spreading of the sol on the substrate during the spin coating process. The glasses show a decrease in the number of polarizable non-bridging oxygen units with doping, reducing the polarizability and optical basicity. The films exhibit prominent green lasing in the downshifting process. The energy transfer from the Yb3+ ions endows the glasses with significant red lasing, suppressing the green emissions by the upconversion mechanism, which is also validated by the colorimetric chromaticity analysis. The gain cross-section of the glass doped with 1.5 mol% of Yb3+ is 23.3 × 10−20 cm2 in the S-band telecommunication domain. The glass film evidences its potential for NIR lasers, beyond a population inversion of 40 %, and a decreasing metastable lifetime of 6.6 μs. Beyond 1.5 mol% of the co-dopant Yb3+, energy transfer dominates, due to the dipole-quadrupole interactions, which has been corroborated by the Inokuti-Hirayama model. The conductivity in the glasses shows a decreasing trend with doping. The Randle's equivalent circuitry of the Nyquist impedance plots, predicts Warburg diffusion impedance that deters the space charge polarization. The consequential decrease in the dielectric constant and capacitance makes the glasses suggestive of multi-layer dielectric substrates in the integrated microelectronic technology for soldering of the printed circuit boards (PCB) that demand low signal losses.

Enhancing performance of Au-hyperdoped Si photodetectors for infrared detection

Hyperdoping Si with transition metals to form intermediate bands for infrared absorption has attracted attention recently for producing sub-bandgap photoconductivity. In particular, Si hyperdoped with Au has been demonstrated to exhibit optoelectronic response at 1550 nm. However, the reported external quantum efficiencies (EQEs) are low, and the device fabrication processes had not been optimized. In this paper, we demonstrate a significant improvement in sub-bandgap EQE through modification of the material and device fabrication processes. By increasing the Si:Au layer thickness, modification of device design, and formation of Ohmic contacts, the EQE was measured to be as high as 0.44% at 1550 nm, nearly two orders of magnitude higher than previous reports from similar devices. Additionally, the EQE was measured to be in the 10-3 range for wavelengths as long as 2.4 μm. The EQE spectrum showed features that were attributed to defect levels from a substitutional Au acceptor defect. The above bandgap EQE showed gain in one device. Thermal annealing at 300 °C does not improve the efficiency of Si:Au photodiodes. These results demonstrate the viability of Au-hyperdoped Si for infrared detection below the bandgap of Si.

Light Emission and Conductance Fluctuations in Electrically Driven and Plasmonically Enhanced Molecular Junctions.

Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical functionalities of molecular transport. Such combined optical and electrical probes have proven useful for the fundamental understanding of metal-molecule contacts and contribute to the development of nanoscale optoelectronic devices including ultrafast electronics and nanosensors. Here, we employ a self-assembled metal-molecule-metal junction with a nanoparticle bridge to investigate correlated fluctuations in conductance and tunneling-induced light emission at room temperature. Despite the presence of hundreds of molecules in the junction, the electrical conductance and light emission are both highly sensitive to atomic-scale fluctuations-a phenomenology reminiscent of picocavities observed in Raman scattering and of luminescence blinking from photoexcited plasmonic junctions. Discrete steps in conductance associated with fluctuating emission intensities through the multiple plasmonic modes of the junction are consistent with a finite number of randomly localized, point-like sources dominating the optoelectronic response. Contrasting with these microscopic fluctuations, the overall plasmonic and electronic functionalities of our devices feature long-term survival at room temperature and under an electrical bias of a few volts, allowing for measurements over several months.

Comprehensive prediction of lead-free mixed-valence Cs2AgIAuIIIX6 (X = Cl, Br, I) halide double perovskites for high-efficiency photovoltaics

In light of their suitability for optoelectronic and photovoltaic devices, lead-free halide double perovskites (HDPs) have been extensively concerned in recent years. However, most HDPs have large and indirect band gaps (> 2 eV), which is unfavorable for perovskite solar cells. Here, the structural stability, optoelectronic response, and photovoltaic performance of mixed-valence HDPs Cs2AgIAuIIIX6 (X = Cl, Br, I) have been theoretically examined. The thermodynamic, dynamical, and mechanical stability are verified in terms of the decomposition energy, phonon dispersion, and elastic constants. The computed indirect-gaps are 1.44 eV for Cs2AgIAuIIICl6, 1.25 eV for Cs2AgIAuIIIBr6, and 1.22 eV for Cs2AgIAuIIII6, respectively. These mixed-valence Cs2AgIAuIIIX6 (X = Cl, Br, I) HDPs possess more suitable optical band gaps in comparison with that of Cs2AuIAuIIIX6. The role of different metal cations in determining electronic properties is further elucidated. Furthermore, the optical analysis discloses that three mixed-valence HDPs exhibit high visible-light absorption coefficients. Additionally, the photovoltaic response of Cs2AgIAuIIIX6 (X = Br, I) is further substantiated since the predicted efficiency is beyond 28 %. Overall, our study reveals that mixed-valence Cs2AgIAuIIIX6 (X = Cl, Br, I) HDPs shows good stability and superior photovoltaic performance, which is an efficient candidate for single-junction perovskite solar cells.

Dual-function optical modulation and detection in microring resonators integrated graphene/MoTe2 heterojunction

On-chip photonic devices such as modulators and photodetectors are essential building blocks for integrated photonics, enabling a wide range of applications in optical communication, sensing, and other emerging fields. Generally, optical modulation and photodetection are accomplished by two discrete devices in integrated photonic circuits, prohibiting the expansion of device functionality and the miniaturization of photonic systems. In this work, we demonstrate graphene/MoTe2 heterojunction integrating with microring resonators (MRRs) to serve as an optical modulator under positive bias voltage and a photodetector under negative bias voltage at the telecom band. Such a device primarily benefits from graphene's optoelectronic characteristics, including broadband absorption and electrostatically tunable refractive index. The obtained dual-functional MoTe2/graphene heterojunction devices demonstrate a modulation depth of ∼26.7 dB, a bandwidth of 7.0 GHz, and a self-driven, wavelength-sensitive optoelectronic response at the telecom C band. Our studies indicate that combining graphene van der Waals heterojunction with MRRs paves the way to emerging photonic applications such as neuromorphic computing while expanding the freedom for miniaturized photonic circuits.

Optoelectronic and thermoelectric response of lead free halide double perovskites Rb2AgPX6 (X = Cl, Br, I) for energy storage applications

Optoelectronic and thermoelectric response of lead free halide double perovskites Rb2AgPX6 (X = Cl, Br, I) for energy storage applications

First-principles study of the thickness-dependent shift current in γ-GeSe thin layers

We investigate the stable structure and optoelectronic properties of thin γ-GeSe layers through first-principles calculations. We examine three stacking configurations (A-A, A-B, and A-C) of adjacent quadruple layers (QLs), revealing the structural stability of A-C stacking. Due to broken inversion symmetry in atomically thin γ-GeSe layers, shift currents are generated, which are very sensitive to their stacking order and thickness. Despite similar optical absorption trends in A-B and A-C stackings, their shift current responses differ significantly. The shift current is notably decreased at odd-number stackings for all cases, attributed to opposite generated flows between the top and bottom surfaces. The analysis of orbital contributions reveals the charge shift's origin in γ-GeSe. We also explore mechanical modifications, such as sliding and strain, demonstrating the tunability of the shift current spectrum in γ-GeSe. This research enhances our understanding of the optoelectronic response in atomically thin materials, providing valuable insights for future applications.