Computational acceleration of performance metric-based materials discovery via high-throughput screening and machine learning methods is becoming widespread. Nevertheless, development and optimization of the opto-electronic properties that depend on dilute concentrations of point defects in new materials have not significantly benefited from these advances. Here, the authors present an informatics and simulation suite to computationally accelerate these processes. This will enable faster and more fundamental materials research, and reduce the cost and time associated with the materials development cycle. Analogous to the new avenues enabled by current first-principles-based property databases, this type of framework will open entire new research frontiers as it proliferates.

This paper presents new water-soluble bio-polyelectrolyte-based nanoparticles, formed from lanthanide-induced polysaccharide aggregates (LIPAs). These new nano-aggregates are formed by coordinating a photoluminescent lanthanide–ligand complex to a single polyelectrolyte [i.e. polyanionic hyaluronic acid (HA)] or to two oppositely charged polyelectrolytes [i.e. HA and polycationic chitosan (CHI)]. We demonstrate that photoluminescent Eu3+–ligand complexes, which are dispersed homogeneously in aqueous solution by the association with water-soluble HA. The polysaccharide supermolecular assembly can be tuned to obtain nanoparticles of different sizes and surface charges. The preparation of stable and water-soluble lanthanide complexes via Eu3+–LIPAs opens opportunities for use of luminescent lanthanides in aqueous environments, for biosensing and bioimaging applications.

Bioelectronics aims to design electronic devices which can be fully integrated within tissues to monitor or stimulate specific cell functions. The main challenge is the engineering of the cell–chip interface and diverse materials, and devices have been developed to recapitulate biological architectures and functionalities. In this Prospective article, the authors give an overview on how the bioelectronics community has exploited biomimetic approaches to emulate cell morphologies, interactions, and functions to design optimal electrical platforms to be coupled to living cells.

The processes of singlet fission and triplet fusion could allow state-of-the-art photovoltaic devices to surpass the Shockley–Queisser limit by optimizing the utilized solar spectrum by reducing thermal relaxation and inaccessible sub-bandgap photons, respectively. Triplet fusion demands precise control of the spin-triplet state population, and requires a sensitizer to efficiently populate the triplet state of an acceptor molecule. In this perspective, we highlight the established field of sensitized upconversion and further examine alternative triplet sensitization routes, including the possibility of bulk solid-state semiconductors as triplet sensitizers, which provide a new avenue for charge transfer-based triplet sensitization rather than excitonic triplet energy transfer.

From the 1918 influenza pandemic (H1N1) until the recent 2019 severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, no efficient diagnostic tools have been developed for sensitive identification of viral pathogens. Rigorous, early, and accurate detection of viral pathogens is not only linked to preventing transmission but also to timely treatment and monitoring of drug resistance. Reverse transcription-polymerase chain reaction (RT-PCR), the gold standard method for microbiology and virology testing, suffers from both false-negative and false-positive results arising from the detection limit, contamination of samples/templates, exponential DNA amplification, and variation of viral ribonucleic acid sequences within a single individual during the course of the infection. Rapid, sensitive, and label-free detection of SARS-CoV-2 can provide a first line of defense against the current pandemic. A promising technique is non-linear coherent anti-Stokes Raman scattering (CARS) microscopy, which has the ability to capture rich spatiotemporal structural and functional information at a high acquisition speed in a label-free manner from a biological system. Raman scattering is a process in which the distinctive spectral signatures associated with light-sample interaction provide information on the chemical composition of the sample. In this prospective, we briefly discuss the development and future prospects of CARS for real-time multiplexed label-free detection of SARS-CoV-2 pathogens.

Detection of chlorpyrifos (CPF) using a surface plasmon resonance (SPR)-enhanced photoelectrochemical sensing system is demonstrated in this study. The presence of CPF was detected based on an increase in the short-circuit photocurrent when a sample is injected into the electrolyte at different concentrations. The short-circuit photocurrent signal was enhanced by both localized SPR of the gold nanoparticles and by the effects of grating-coupled propagating SPR. Using the hybrid SPR-enhancement system, CPF detection was achieved at concentrations as low as 7.5 nM. The proposed technique of leveraging a multifunctional photovoltaic effect can be used for a variety of sensing applications.

Signal detection limit (SDL), limit of detection (LOD), and limit of quantitation of a portable Raman spectrometer were measured for smokeless gunpowder stabilizers, diphenylamine (DPA) and ethyl centralite (EC), in acetone, acetonitrile, ethanol, and methanol. Acetone yielded the lowest LOD for three of four DPA peaks, and acetonitrile yielded the lowest LOD for two of three EC peaks and the remaining DPA peak. When gold nanoparticles were added to the DPA solutions in acetone and acetonitrile, statistically significant changes were observed (DPA peak position, full width at half maximum, and/or total area) and SDL was improved for the majority of all peaks in both solvents.

Synthesis of ZIF with zinc, cobalt, or copper was carried out by microwaves. The effect of metal center on morphologies and pores of products was studied. Nitrogen adsorption/desorption onto ZIFs was examined by density functional theory. The micro, meso, and macropores of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 ranged 99.814–99.969%, 0.055–0%, and 0.031–0.130%, respectively. Average pore sizes of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 are 1.291, 1.194, and 1.164 nm, respectively. Monolayer saturation limits of nitrogen onto ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 were 21.152, 18.943, and 17.784 mmol/g, respectively. Further, the results included densities, total surface areas, total pore volumes, and average particle sizes of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8.

Angiogenesis is a critical component during wound healing, and the process is sensitive to mechanical stimuli. Current in vitro culture environments used to investigate three-dimensional microvascular growth often lack dimensional stability and the ability to withstand compression. We investigated the ability of decorin (DCN), a proteoglycan known to modulate collagen fibrillogenesis, incorporated into a collagen hydrogel to increase construct dimensional stability while maintaining vascular growth. DCN did not affect microvascular growth parameters, while increasing the compressive modulus of collagen gels and significantly reducing the contraction of 3% collagen gels after 16 days in culture.

We report on the mechanical and electrical response of VO2 nanowires during the application of uniaxial tensile strain at room temperature. Stress–strain curves exhibit plateaus, which are characteristic of reversible transformations. The mechanical data are also discussed in terms of size effects, which is important for applications where the structural integrity is key to the performance of devices. Electrical measurements during straining show a distinct increase in resistivity at the M1–M2 transition, and a strong piezo-resistive effect for the M2 phase, disclosing new opportunities for future nanostructured devices. To our knowledge, this is the first time that piezoresistivity in the M2 phase has been reported.

Spherical and conical nanoindentation experiments were performed for the same polymer specimens to compare Young's moduli measured from the elastic loading and unloading curves, and bending experiments. Finite-element simulation was employed to ensure pure elastic deformation during spherical nanoindentation. The moduli measured from the elastic loading curves using Hertz's contact law are very close to the bending moduli, because both measurements were conducted under the same elastic deformation. However, the moduli measured from the elastic unloading curves are up to 60% higher than the bending moduli owing to plastic deformation close to the sharp conical indenter tip.

Using kerf-free wafering technologies material losses in semiconductor manufacturing processes can be reduced drastically. By the use of externally applied stress, crystalline materials can be separated along crystal planes with clearly defined thickness. Nevertheless, during this process striations caused by the crack propagation occur. These crack growth features are river and Wallner lines. In this work, we demonstrate a process for spalling that scales favorably for large-area semiconductor substrates with a diameter up to 300 mm. To get rid of the crack growth features, a laser-conditioning process with a high numerical aperture at photon energies below the material bandgap energy, using multi-photon effects is utilized. The process affords a surface roughness Ra after spalling of <1 µm.

This study investigated a new strategy for fabricating porous scaffolds with the self-folding ability and controlled release of growth factors (GFs) via 3D printing. The scaffolds were a bilayer structure comprising a poly(D,L-lactide-co-trimethylene carbonate) scaffold for providing the shape morphing ability and a gelatin methacrylate scaffold for encapsulating and delivering GF. The structure, shape morphing behavior, GF release, and its effect on stem cell behavior were studied for new scaffolds. The results suggest that these scaffolds have great potential for regenerating tissues such as blood vessels. This work also contributes to developments of 3D printing in tissue engineering.

Lead halide perovskite solar cells (PSCs) with a structure of glass/FTO/TiO2/CH3NH3PbI3 with single-walled carbon nanotubes (SWNT) as the transparent top electrodes, followed by polymethyl methacrylate (PMMA) over-coating were fabricated. The SWNT-based PSCs do not require expensive metal electrodes and hole-transporting materials yet produce a decent power conversion efficiency of 11.8%, owing to the densifying effect of SWNTs by PMMA. The resulting devices demonstrate reduced hysteresis, improved stability, and increased power conversion efficiency.

Improvement of both solution and vapor-phase synthetic techniques for nanoscale ferroelectrics has fueled progress in fundamental understanding of the polar phase at reduced dimensions, and this physical insight has pushed the boundaries of ferroelectric phase stability and polarization switching to sub-10 nm dimensions. The development and characterization of new ferroelectric nanomaterials has opened new avenues toward future nonvolatile memories, devices for energy storage and conversion, biosensors, and many other applications. This prospective will highlight recent progress on the synthesis, fundamental understanding, and applications of zero- and one-dimensional ferroelectric nanomaterials and propose new directions for future study in all three areas.

The regeneration of human tissues with complex anatomy such as gastrointestinal (GI) tract remains greatly challenging since it requires appropriate cell microenvironments with well-defined structural and biochemical cues. In this investigation, bilayer scaffolds consisting of different polymer nanofibers with orthogonal fiber orientations were prepared, in which vascular endothelial growth factor (VEGF) and platelet-derived growth factor (PDGF) were encapsulated separately. The bilayer scaffolds have similar architecture to the anatomy of the GI tract and can achieve dual releases of VEGF and PDGF in sequential and sustained manners, which hold promise as appropriate cell microenvironments for promoting the regeneration of the GI tract.

Oxygen vacancies have a significant impact on the structure and electrical/magnetic properties of doped manganites. Magnetic La0.5Sr0.5MnO3 (LSMO) films were epitaxial grown on (001) SrTiO3 substrate by pulsed laser deposition. Structural studies from the x-ray diffraction suggest that the as-grown films are fully constrained by the substrate with the thickness ranging from 8 to 40 nm. By examining the valence of Mn by x-ray photoelectron spectroscopy and x-ray absorption spectroscopy, we find the ratio of Mn4+/Mn3+ increases along with the increased film thickness, which implies that the oxygen vacancies concentration induced by tensile strain correspondingly decreases. Therefore, the magnetization of LSMO is depressed with the exchange bias effect arising, and the electrical conductivity decreases significantly. This work builds a bridge between modulation of electric/magnetic properties and epitaxial strain in LSMO films.

The field of nanophotonics has experienced a dramatic development in recent years, which requires ample candidate structures to achieve desirable functionalities. For many novel device designs in emerging field of transformation optics, optical metamaterials, and others, non-uniform and non-conformal thin films as well as three-dimensional (3D) structures are necessary to achieve advanced functionalities. Here, we report several techniques utilizing angled physical vapor deposition to obtain unique and complex 3D structures such as films with tapered thickness on planar substrates, tapered or uniform films on curved surfaces, and 3D nanorod arrays. These structures could enrich the existing practical design space for applications in nanophotonics and nanoelectronics.

Conjugated polymers (CPs) are widely investigated because of their intriguing optical and semiconducting properties in various optoelectronic device applications. Because of the one-dimensional p-orbital overlap along the main chain, CPs exhibit strong anisotropy in optoelectronic characteristics. Therefore, macroscopic assembly and alignment of CPs are essential to fully utilize their potential properties in real device applications. Here we review various processing strategies and material design principles for efficient CP alignment that result in highly anisotropic optical and electronic characteristics. Furthermore, we thoroughly review the incorporation of aligned CPs layers in organic light-emitting diodes, organic thin film transistors, and organic photovoltaic devices. The achieved macroscopic CP alignment has increased the optoelectronic properties and greatly improved device performance.

We describe a new protocol for testing coating/substrate interfacial failures through compression loading of micro-pillars containing an inclined interface region, experimentally realized in the TiN/Ti/Si(100) system. Interfacial failures were achieved through direct compression loading in the axial direction, which yielded reproducible failure stresses which exhibited little dependence on the pillar diameter. The testing protocol lends itself to high-resolution analysis of failure surfaces, and is conducive to correlating interfacial structure and chemistry with mechanical failures within the coating/substrate interfacial region.