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Raman scattering studies on very thin layers of gallium sulfide (GaS) as a function of sample thickness and temperature.
摘要： Gallium sulfide is a semiconducting material with a layered structure and a characteristic low interlayer interaction. Because of weak van der Waals forces, GaS crystals are relatively easy to exfoliate to very thin layers. In this work nanometric-GaS layers were obtained by a micro-mechanical exfoliation process and were transferred to Si/SiO2 substrate. The thickness of these layers was estimated from AFM measurements. Raman spectra were collected for different layer thicknesses ranging from one layer to bulk crystal. An analytical function fitted to experimental data is proposed to determine layer thickness from Raman measurements. For the first time, the Raman position and the FWHM of the main Raman peaks were measured on very thin GaS layers as a function of temperature in the range from 80 to 470 K. The first order temperature coefficients of the A1g Raman peaks were determined. Phonon decay due to anharmonic processes at temperatures above 300 K in layers of thickness below 4 nm was observed. Contribution of optical phonon scattering processes to thermal properties of very thin GaS layers is discussed.
关键词： GaS monolayer,anharmonic decay,metal III chalcogenides,layered 2d semiconductors,phonon lifetime
更新于2025-09-09 09:28:46
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Nonlinear optical susceptibility of atomically thin WX2 crystals
摘要： We have studied tungsten diselenide (WSe2) and tungsten disulfide (WS2) monolayer materials in second harmonic generation spectroscopy and microscopy experiments. Ultra-broadband continuum pulses served as the fundamental beam while its second harmonic spectrum in the visible and ultraviolet (UV) range was detected and analyzed with a better than 0.3 nm spectral resolution (< 2 meV). We provide dispersion data and absolute values for χ(2) for the materials within a photon energy range of 2.3–3.2 eV. Fine spectral features that were detected within the dispersion data for the optical nonlinearities indicate the impact of near bandgap exciton transitions. The fundamental bandgap of 2.35 eV and exciton binding energy of 0.38 eV were determined from the measurements for WS2 monolayers while the corresponding values in WSe2 monolayers were 2.22 eV and 0.71 eV. Ranges for the absolute values of the sheet nonlinearity for WS2 and WSe2 are shown to be 0.58–1.65 × 10?18 m2/V and 0.21–0.92 × 10?18 m2/V, correspondingly.
关键词： Nonlinear spectroscopy and microscopy,Transition metal dichalcogenides,Two-dimensional semiconductors,Second harmonic generation,Optical nonlinearity in semiconductors,Monolayer crystals,Optics at interfaces
更新于2025-09-09 09:28:46
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Difference analysis model for the mismatch effect and substrate-induced lattice deformation in atomically thin materials
摘要： Atomically thin materials hold mutative electronic transition properties by virtue of the inevitable strains adding to the lattice distribution. A quantitative approach and clear systematical verification have seldom been presented to effectively illustrate the substrate-induced strain along the lattice distribution, although the substrate perturbations for monolayers have been repeatedly mentioned. Here, a model of difference analysis is introduced to reveal the structural strain of monolayers from the substrate, which is derived from the mismatch effect based on the variation of the thermal expansion coefficient between the substrate and monolayers. A coupling coefficient is proposed to quantitatively manifest the substrate-induced strain and mismatch effect. Furthermore, combined with the coupling coefficient, the lattice disorder from the mismatch effect is demonstrated, experimentally using the WS2 monolayer as reference. This study could promote broad investigations of some fundamental issues from preparation to electrical structural performances in atomically thin materials and further practical applications.
关键词： atomically thin materials,substrate-induced strain,mismatch effect,WS2 monolayer,thermal expansion coefficient
更新于2025-09-09 09:28:46
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The Porter-Whitesides Discrepancy: Revisiting Odd-Even Effects in Wetting Properties of n-Alkanethiolate SAMs
摘要： This review discusses the Porter-Whitesides discrepancy in wetting properties of n-alkanethiolate self-assembled monolayers (SAMs). About 25 years ago, Whitesides and coworker failed to observe any odd-even effect in wetting, however, Porter and his coworker did, albeit in select cases. Most previous studies agreed with Whitesides’ results, suggesting the absence of the odd-even effect in hydrophobicity of n-alkanethiolate SAMs. Recent reports have, however, found the odd-even effect in hydrophobicity of n-alkanethiolate SAMs on smooth substrates, indicating that hydrophobicity, and analogous interfacial properties, of n-alkanethiolate SAMs significantly depends on the properties of substrate. Unfortunately, the Whitesides and Porter papers do not report on the quality of the surfaces used. Based on recent work, we inferred that the original discrepancy between Whitesides and Porter can be attributed to the quality of the surface. Odd-even effect of SAMs in charge transport, capacitance, friction, and SAM structure are also discussed in this review to inform the general discussion. The discrepancy between Porter's group and Whitesides’ group could be due to surface roughness, morphology, oxidation, and adventitious contaminants.
关键词： hydrophobicity,roughness,odd-even effect,self-assembled monolayer
更新于2025-09-09 09:28:46
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Effects of Strategically Placed Water Droplets on Monolayer Growth of Molybdenum Disulfide
摘要： Two-dimensional (2D) molybdenum disulfide (MoS2) films with a tunable bandgap hold great promise for next-generation electronic and optoelectronic devices. Synthesis of large areas of high-quality MoS2 monolayers lacks experimental reproducibility. Moreover, the outcome of MoS2 growth by chemical vapor deposition is dependent on several interconnected growth parameters. In this study, we present results of MoS2 monolayer growth by strategically placing water droplets on the growth substrate and/or in the source prior to its loading in the growth chamber. The volume and distribution of water on the growth substrate and in the source had a direct impact on the morphology of the as-grown MoS2. Characterized by scanning electron microscopy (SEM), Raman microscopy, and atomic force microscopy (AFM), the number and size of MoS2 layers as well as its distribution on the growth substrate were found to have a strong dependence on the positioning of the water droplet. This study on MoS2 monolayer growth using water droplets as a promoter provides a simple and reproducible experimental technique enabling growth with high reliability.
关键词： molybdenum disulfide,water droplets,Raman microscopy,scanning electron microscopy,chemical vapor deposition,atomic force microscopy,monolayer growth
更新于2025-09-09 09:28:46
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Can freestanding Xene monolayers behave as excitonic insulators?
摘要： We predict a phase transition in freestanding monolayer Xenes from the semiconducting phase to the excitonic insulating (EI) phase can be induced by reducing an external electric field below some critical value which is unique to each material. The splitting of the conduction and valence bands due to spin–orbit coupling at non-zero electric fields leads to the formation of A and B excitons in the larger or smaller band gap, with correspondingly larger or smaller binding energies. Our calculations show the coexistence of the semiconducting phase of A excitons with the EI phase of B excitons for a particular range of electric field. The dielectric environment precludes the existence of the EI phase in supported or encapsulated monolayer Xenes.
关键词： Monolayer Xenes,Excitonic insulator phase,Excitons
更新于2025-09-09 09:28:46
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Surface FTIR Techniques to Analyze the Conformation of Proteins/ Peptides in H2O Environment
摘要： Proteins/peptides, which are involved in various biochemical processes in biological systems, contain infrared (IR) active vibrations. Among all the IR absorption bands of proteins/peptides, the amide I band arises mainly from the stretching vibration of the carbonyls (C=O) in backbone amide bonds and is sensitive to the conformations (such as α–helix, β–sheet, unstructured conformation, and so on) in a protein/peptide. Therefore, the amide I band has been used to monitor the biophysical/biochemical behavior of proteins/peptides in biological samples (e.g., living cells or tissues). However, obtaining reproducible IR spectra of proteins/peptides in H2O solution was challenging by direct transmission measurement using a liquid cell with milli-meter level path length, due to the intensive IR absorption of H2O around 1620 cm-1 which overlaps the amide I band. Thus, lots of the IR spectra of proteins/peptides were accomplished in D2O, which has IR absorption around 1200 cm-1. Since D2O may not be a favorable solvent for biological samples, the position of the amide I band of various conformations was needed as a reference for biological samples. Consequently, various surface FTIR techniques (such as Infrared Reflection-Absorption Spectroscopy or IRRAS, and Attenuated Total Reflection or ATR) have been developed to obtain the IR spectra of proteins/peptides in H2O environment and have been reviewed here.
关键词： Amide I band,Langmuir monolayer,ATR,13C labels,IRRAS,PM-IRRAS
更新于2025-09-09 09:28:46
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Performance analysis of a substrate-engineered monolayer MoS2 field-effect transistor
摘要： We investigate the impact of different substrates on the performance of a monolayer MoS2 field-effect transistor (FET) by calculating the interface charge density between the MoS2 layer and the substrate using first-principle calculations based on density functional theory to provide details about the overlap of electron orbitals at the interface. The electrical characteristics of the monolayer MoS2 FET are determined by using the extracted interface charge density in numerical simulations. The electron transport behavior of the monolayer MoS2 FET is modeled using the nonequilibrium Green’s function with mode space (NEGF_MS) approach. We study and compare the performance of monolayer MoS2 FETs on different substrates, viz. SiO2, HfSiO4, Si3N4, HfO2, and h-BN. The results reveal that the monolayer MoS2 FET on the h-BN/Si substrate exhibits an on-current of 548 μA/μm and a subthreshold swing of 65 mV/dec.
关键词： Carrier fluctuations,Electron transport,Charge density,NEGF_MS,Monolayer MoS2 FET
更新于2025-09-09 09:28:46
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Dynamic theory of nanophotonic control of two-dimensional semiconductor nonlinearities
摘要： We introduce a Maxwell-Bloch simulation approach which self-consistently combines a microscopic description of the carrier and polarization dynamics of a transition-metal-dichalcogenide (TMDC) monolayer with a spatiotemporal full-wave time-domain simulation of Maxwell’s equations on the basis of a ?nite-difference time-domain (FDTD) method beyond the slowly varying amplitude or paraxial approximations. This offers a platform to realistically model, in particular, the typical ultrafast optical excitation experiments in micro- and nanocavities. Our simulations con?rm that the weak screening of the Coulomb interaction in TMDC monolayers yields pronounced exciton lines in the linear spectrum and we uncover the second-order nonlinearity represented in the semiconductor Maxwell-Bloch equations by an intraband dipole moment. This allows us to calculate the spectral shape of the exceptionally strong second-harmonic generation around the exciton lines of TMDC monolayers. We demonstrate that the second-harmonic signal can remarkably be further enhanced by several orders of magnitude through a suitably designed (one-dimensional) photonic microcavity. Due to its self-consistency, ?exibility, explicit spatio-temporal resolution on the nanoscale and the ready access to light ?eld and electron dynamics, our theory and computational approach is an ideal platform to design and explore spatiotemporal nonlinear and quantum dynamics in complex photonic or plasmonic micro- and nanostructures for optoelectronic, nanophotonic and quantum applications of TMDC monolayers.
关键词： second-harmonic generation,nonlinear optical response,TMDC monolayer,Maxwell-Bloch simulation,photonic microcavity
更新于2025-09-09 09:28:46
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Computational design of GeSe/graphene heterojunction based on density functional theory
摘要： Based on density functional theory, we computational designed the hetero junction composed by decreasing the interlayer distance in G/g hetero structure. The height of Schottky barrier can be demonstrated that both the intrinsic electric properties of the GeSe monolayer and graphene are well preserved in G/g hetero structure. It is found that an energy gap of 0.17 eV in graphene is opened by GeSe monolayer and graphene. The effects of interlayer coupling, strains and electric fields on the electronic structures of the designed GeSe/graphene (G/g) hetero structure are explored. We found that applying in-plane strains and the electric fields perpendicular to the G/g hetero structure can control the Schottky barriers at the G/g interface. Our results predict that the ultra-thin G/g hetero structure can be used as two-dimensional semiconductor-based optoelectronic devices.
关键词： density functional,heterostructure,GeSe monolayer,strain,electric field
更新于2025-09-09 09:28:46