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Vibrational Spectra of Thiolate-Protected Gold Nanocluster with Infrared Reflection Absorption Spectroscopy: Size- and Temperature-Dependent Ordering Behavior of Organic Monolayer
摘要： Vibrational spectra of thiolate-protected gold nanoclusters, prepared in a monolayer manner using the Langmuir?Blodgett method, were measured by means of infrared re?ection absorption spectroscopy (IRAS). A transferred monolayer of gold nanoclusters ligated by dodecanethiolate or 2-phenylethane-1-thiolate onto a single-crystal gold (Au) surface of Au(111) exhibits worthy IRAS spectra that reveal temperature-dependent behaviors from 100 to 340 K as well as comprehensive peak assignments based on density functional theory calculations: the conformation change in ligands between all trans and gauche defect forms with temperature. In addition to the temperature dependence, the cluster size dependence of alkyl and phenyl moieties is discussed, compared with the IRAS spectra of the corresponding self-assembled monolayers (SAMs) on Au(111). Ligands spreading three-dimensionally from the Au core determine the coordination structure of the ligated Au nanoclusters.
关键词： self-assembled monolayers,density functional theory calculations,Langmuir?Blodgett method,thiolate-protected gold nanoclusters,Vibrational spectra,temperature-dependent behaviors,infrared re?ection absorption spectroscopy
更新于2025-09-12 10:27:22
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Plasmonic Cu Nanostructures in ZnO as Hyperbolic Metamaterial Thin Films
摘要： Plasmonic metals, such as Cu and Al, have been considered as potential low-loss alternatives for Au and Ag for photonic structures and devices. However challenges remain in the fabrication and applications of Cu nanostructures, due to its easy oxidation issues. In this work, a new metamaterial structure of plasmonic Cu nanostructures embedded in a dielectric ZnO matrix has been designed and successfully fabricated using a one-step thin film growth method. The Cu-ZnO hybrid thin films present excellent epitaxial quality and exotic optical properties, such as strong localized surface plasmon resonance in the visible regime, and, highly anisotropic and hyperbolic optical response, revealed by angular dependent and polarization resolved reflectivity measurements. This hyperbolic plasmonic metamaterial via the metal-in-oxide matrix form combining low loss plasmonic Cu nanostructures and extraordinary anisotropic optical properties could be used towards various nanophotonic applications, such as plasmonic solar energy devices and hyperlens.
关键词： anisotropic optical property,Cu nanorods,metamaterial,self-assembled,low-loss plasmonic metal
更新于2025-09-11 14:15:04
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Computer Aided Patterning Design for Self-Assembled Microsphere Lithography (SA-MSL)
摘要： In this paper, we use a finite difference time domain solver to simulate the near field optical properties of self-assembled microsphere arrays when exposed to an incoherent light source. Such arrays are typically used for microsphere lithography where each sphere acts as a ball lens, focusing ultraviolet light into an underlying photoresist layer. it is well known that arrays of circular features can be patterned using this technique. However, here, our simulations show that additional nanometer scale features can be introduced to the pattern by optimising the sphere dimensions and exposure conditions. these features are shown to arise from the contact points between the microspheres which produce paths for light leakage. for hexagonally close packed arrays, the six points of contact lead to star shapes in the photoresist. These star shapes have subfeature sizes comparable to the current achievable resolution of low-cost fabrication techniques.
关键词： finite difference time domain solver,microsphere arrays,SA-MSL,photoresist,Self-assembled microsphere lithography
更新于2025-09-11 14:15:04
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Self-assembled NiO microspheres for efficient inverted mesoscopic perovskite solar cells
摘要： Perovskite solar cells (PSCs) with both normal (n-i-p) and inverted (p-i-n) mesoscopic structures usually exhibit higher e?ciency than their planar counterparts because the mesoporous charge transport layers can supply heterogeneous nucleation sites for growing high quality perovskite crystals and enlarged charge separation area for better charge extraction. However, comparing with the achieved extremely high or even the certi?ed world record e?ciency of mesoscopic PSCs, the signi?cant improvement of inverted mesoscopic PSCs has yet been made, mainly owing to the lack of suitable p-type semiconductors for preparing mesoporous hole transport layers (HTLs). Here, an emulsion-based bottom-up self-assembly strategy is used to prepare NiO microspheres from well-dispersed NiO nanocrystals. The self-assembled NiO microspheres are further used to fabricate mesoporous NiO HTLs of the inverted mesoscopic PSCs. The as-prepared mesoporous NiO HTL with self-assembled NiO microspheres can provide more suitable graded energy alignment, better charge carrier dynamics and reduced dark recombination in the device comparing with the inverted planar PSC with NiO nanocrystal HTL, contributing to obviously enhanced photovoltaic performance and nearly eliminated photocurrent-voltage hysteresis. Due to the general strategy of emulsion-based bottom-up self-assembly for microspheres synthesis, it will overcome the shortage of p-type materials for preparing e?cient inverted mesoscopic PSCs.
关键词： Self-assembled NiO microspheres,Photovoltaic performance,Inverted mesoscopic perovskite solar cell
更新于2025-09-11 14:15:04
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Self-assembled monolayer for polymer-semiconductor interface with improved interfacial thermal management
摘要： Reliability and lifespan of highly miniaturized and integrated devices will be effectively improved if excessive accumulated heat can be quickly transported to heat sinks. In this study, both molecular dynamics (MD) simulations and experiments were performed to demonstrate that self-assembled monolayers (SAMs) have high potential in interfacial thermal management and can enhance thermal transport across polystyrene (PS) / silicon (Si) interface, modelling the common polymer/semiconductor interfaces in actual devices. The influence of packing density and alkyl-chain length of SAMs are investigated. Firstly, MD simulations show that the interfacial thermal transport efficiency of SAM is higher with high packing density. The interfacial thermal conductance (ITC) between PS and Si can be improved up to 127 ± 9 MW m-2 K-1, close to the ITC across metal and semiconductor interface. At moderate packing density, the SAMs with less than 8 carbon atoms in alkyl-chain show superior improvements over those with more carbons due to the assembled structure variation. Secondly, time-domain thermoreflectance technique was employed to characterize the ITCs of a bunch of Al/PS/SAM/Si samples. C6-SAM enhances the ITC by 5 folds, from 11 ± 1 MW m-2 K-1 to 56 ± 17 MW m-2 K-1. The interfacial thermal management efficiency will weaken when alkyl-chain exceeds 8 carbon atoms, which agrees with the ITC trend from MD simulations at moderate packing density. The relationship between SAM morphology and interfacial thermal management efficiency is also discussed in detail. This study demonstrates the feasibility of molecular level design for interfacial thermal management from both theoretical calculation and experiment, and may provide a new idea for improving the heat dissipation efficiency of micro devices.
关键词： polymer/semiconductor interface,time-domain thermoreflectance,molecular dynamics simulation,self-assembled monolayer,interfacial thermal management
更新于2025-09-11 14:15:04
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Enhanced piezoresponse and nonlinear optical properties of fluorinated self-assembled peptide nanotubes
摘要： Self-assembled L,L-diphenylalanine (FF) nanostructures offer an attractive platform for photonics and nonlinear optics. The nonlinear optical (NLO) coefficients of FF nanotubes depend on the diameter of the tube [S. Khanra et al. Phys. Chem. Chem. Phys. 19(4), 3084–3093 (2017)]. To further enhance the NLO properties of FF, we search for structural modifications. Here, we report on the synthesis of fluorinated FF dipeptides by replacing one ortho-hydrogen atom in each of the phenyl groups of FF by a fluorine atom. Density-functional theoretical calculations yield insights into minimum energy conformers of fluorinated FF (Fl-FF). Fl-FF self-assembles akin to FF into micron-length tubes. The effects of fluorination are evaluated on the piezoelectric response and nonlinear optical properties. The piezoelectric d15 coefficient of Fl-FF is found to be more than 10 times higher than that of FF nanotubes, and the intensity of second harmonic generation (SHG) polarimetry from individual Fl-FF nanotubes is more than 20 times that of individual FF nanotubes. Furthermore, we obtain SHG images to compare the intensities of FF and Fl-FF tubes. This work demonstrates the potential of fluorine substitution in other self-assembled biomimetic peptides for enhancing nonlinear optical response and piezoelectricity.
关键词： piezoresponse,density-functional theory,nonlinear optical properties,fluorinated self-assembled peptide nanotubes,second harmonic generation
更新于2025-09-11 14:15:04
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Formation of Highly Ordered Terminal Alkyne Self-Assembled Monolayers on the Au{111} Surface through Substitution of 1-Decaboranethiolate
摘要： The reaction aimed at completing and closing the open cages of 1-decaboranethiol self-assembled monolayers (SAMs) on Au{111} with 4-phenyl-1-butyne results in highly ordered monolayers of 4-phenyl-1-butyne. The initially disordered 1-decaboranethiolate changed into ordered (√3×√3)R 30° lattices on Au{111} typical of alkyne SAMs, indicating the complete substitution of 1-decaboranethiolate moieties, as determined by nanoscale imaging with scanning tunneling microscopy and X-ray photoelectron spectroscopy. Vibrational spectroscopy results indicate that the process happens gradually and that alkynyl groups are not totally oxidized in the ordered 4-phenyl-1-butyne monolayer.
关键词： Au{111},self-assembled monolayers,vibrational spectroscopy,scanning tunneling microscopy,X-ray photoelectron spectroscopy,4-phenyl-1-butyne,1-decaboranethiol
更新于2025-09-11 14:15:04
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Multiwalled carbon nanotube based aromatic volatile organic compound sensor: sensitivity enhancement through 1-hexadecanethiol functionalisation
摘要： Aromatic volatile organic compound (VOC) sensors are attracting growing interest as a response to the pressing market need for sensitive, fast response, low power consumption and stable sensors. Benzene and toluene detection is subject to several potential applications such as air monitoring in chemical industries or even biosensing of human breath. In this work, we report the fabrication of a room temperature toluene and benzene sensor based on multiwall carbon nanotubes (MWCNTs) decorated with gold nanoparticles and functionalised with a long-chain thiol self-assembled monolayer, 1-hexadecanethiol (HDT). High-resolution transmission electron microscopy (HRTEM) and Fourier transform infrared spectroscopy (FTIR) were performed to characterize the gold nanoparticle decoration and to examine the thiol monolayer bonding to the MWCNTs. The detection of aromatic vapours using Au-MWCNT and HDT/Au-MWCNT sensors down to the ppm range shows that the presence of the self-assembled layer increases the sensitivity (up to 17 times), selectivity and improves the response dynamics of the sensors.
关键词： multiwall carbon nanotubes (MWCNTs),vapour sensor,sensitivity,gold-decorated MWCNTs,self-assembled monolayers (SAMs),selectivity
更新于2025-09-11 14:15:04
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Enhanced Hybridization and Nanopatterning via Heated Liquid-Phase Infiltration into Self-Assembled Block Copolymer Thin Films
摘要： Organic-inorganic hybrids featuring tunable material properties can be readily generated by applying vapor- or liquid-phase infiltration (VPI or LPI) of inorganic materials into organic templates, with resulting properties controlled by type and quantity of infiltrated inorganics. While LPI offers more diverse choices of infiltratable elements, it tends to yield smaller infiltration amount than VPI, but the attempt to address the issue has been rarely reported. Here, we demonstrate facile temperature-enhanced LPI method to control and drastically increase the quantity and kinetics of Pt infiltration into self-assembled polystyrene-block-poly(2-vinylpyridine) (PS-b-P2VP) block copolymer (BCP) thin films. By applying LPI at mildly elevated temperatures (40 – 80 °C), we showcase controllable optical functionality of hybrid BCP films along with conductive three-dimensional (3D) inorganic nanostructures. Structural analysis reveals enhanced metal loading into BCP matrix at higher LPI temperatures, suggesting multiple metal ion infiltration per monomer of P2VP. Combining temperature-enhanced LPI with hierarchical multilayer BCP self-assembly, we generate BCP-metal hybrid optical coatings featuring tunable antireflective properties as well as scalable conductive 3D Pt nanomesh structures. Enhanced material infiltration and control by temperature-enhanced LPI not only enables tunability of organic-inorganic hybrid nanostructure and properties but also expands the application of BCPs for generating uniquely functional inorganic nanostructures.
关键词： self-assembled block copolymers,hybrid thin film,optical coating,Pt nanomesh,Liquid-phase infiltration
更新于2025-09-11 14:15:04
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Electric-Field-Controllable Conductance Switching of an Overcrowded Ethylene Self-Assembled Monolayer
摘要： Molecular isomerism has been discussed from the viewpoint of tiniest switch and memory elements in electronics. Here, we report an overcrowded ethylene-based molecular conductance switch, which fulfills all the essential requirements for implementation onto electronic devices, namely, electric-field-controllable reversible conductance change with a molecular-level spatial resolution, robust conformational bistability under ambient conditions, and ordered monolayer formation on electrode surfaces. The conformational state of this overcrowded ethylene, represented by a folded or twisted conformer, is susceptible to external environments. Nanoscopic measurements using scanning tunneling microscopy techniques, together with theoretical simulations, revealed the electronic properties of each conformer adsorbed on Au(111). While the twisted conformer prevails in the molecularly dispersed state, upon self-assembly into a monolayer, a two-dimensional network structure of the folded conformer is preferentially formed due to particular intermolecular interaction. In the monolayer state, folded-to-twisted and its reverse isomerization can be controlled by the modulation of electric fields.
关键词： overcrowded ethylene,molecular conductance switch,scanning tunneling microscopy,electric-field control,self-assembled monolayer
更新于2025-09-11 14:15:04