Observation of chiral and slow plasmons in twisted bilayer graphene.

Moiré superlattices have led to observations of exotic emergent electronic properties such as superconductivity and strong correlated states in small-rotation-angle twisted bilayer graphene (tBLG). Recently, these findings have inspired the search for new properties in moiré plasmons. Although plasmon propagation in the tBLG basal plane has been studied by near-field nano-imaging techniques, the general electromagnetic character and properties of these plasmons remain elusive.

Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles.

Optoelectronic effects differentiating absorption of right and left circularly polarized photons in thin films of chiral materials are typically prohibitively small for their direct photocurrent observation. Chiral metasurfaces increase the electronic sensitivity to circular polarization, but their out-of-plane architecture entails manufacturing and performance trade-offs. Here, we show that nanoporous thin films of chiral nanoparticles enable high sensitivity to circular polarization due to light-induced polarization-dependent ion accumulation at nanoparticle interfaces.

Band offset trends in IV-VI layered semiconductor heterojunctions.

The band offsets between semiconductors are significantly associated with the optoelectronic characteristics and devices design. Here, we investigate the band offset trends of few-layer and bulk IV-VI semiconductors MX and MX(M = Ge, Sn; X = S, Se, Te). For common-cation (anion) systems, as the atomic number increases, the valence band offset of MX decreases, while that of MXhas no distinct change, and the physical origin can be interpreted using band coupling mechanism and atomic potential trend.

Nonlinear Ballistic Response of Quantum Spin Hall Edge States.

Topological edge states (TES) exhibit dissipationless transport, yet their dispersion has never been probed. Here we show that the nonlinear electrical response of ballistic TES ascertains the presence of symmetry breaking terms, such as deviations from nonlinearity and tilted spin quantization axes. The nonlinear response stems from discontinuities in the band occupation on either side of a Zeeman gap, and its direction is set by the spin orientation with respect to the Zeeman field.

Selective Deposition of Catalytic Metals on Plasmonic Au Nanocups for Room-Light-Active Photooxidation of -Phenylenediamine.

Plasmonic hotspots can enhance hot charge carrier generation, offering new opportunities for improving the photocatalytic activity. In this work, eight types of heteronanostructures are synthesized by selectively depositing catalytic metals at the different sites of highly asymmetric Au nanocups for the photocatalytic oxidation of -phenylenediamine. The oxidation of this molecule has so far mainly relied on the use of HO as an oxidizing agent in the presence of an appropriate catalyst.

Room-temperature valleytronic transistor.

Valleytronics, based on the valley degree of freedom rather than charge, is a promising candidate for next-generation information devices beyond complementary metal-oxide-semiconductor (CMOS) technology. Although many intriguing valleytronic properties have been explored based on excitonic injection or the non-local response of transverse current schemes at low temperature, demonstrations of valleytronic building blocks similar to transistors in electronics, especially at room temperature, remain elusive. Here, we report a solid-state device that enables a full sequence of generating, propagating, detecting and manipulating valley information at room temperature.

Solid wetting-layers in inorganic nano-reactors: the water in imogolite nanotube case.

By combined use of wide-angle X-ray scattering, thermo-gravimetric analysis, inelastic neutron scattering, density functional theory and density functional theory molecular dynamics simulations, we investigate the structure, dynamics and stability of the water wetting-layer in single-walled aluminogermanate imogolite nanotubes (SW Ge-INTs): an archetypal system for synthetically controllable and monodisperse nano-reactors. We demonstrate that the water wetting-layer is strongly bound and solid-like up to 300 K under atmospheric pressure, with dynamics markedly different from that of bulk water. Atomic-scale characterisation of the wetting-layer reveals organisation of the HO molecules in a curved triangular sublattice stabilised by the formation of three H-bonds to the nanotube's inner surface, with covalent interactions sufficiently strong to promote energetically favourable decoupling of the HO molecules in the adlayer.

Reversible spin storage in metal oxide-fullerene heterojunctions.

We show that hybrid MnO/C heterojunctions can be used to design a storage device for spin-polarized charge: a spin capacitor. Hybridization at the carbon-metal oxide interface leads to spin-polarized charge trapping after an applied voltage or photocurrent. Strong electronic structure changes, including a 1-eV energy shift and spin polarization in the C lowest unoccupied molecular orbital, are then revealed by x-ray absorption spectroscopy, in agreement with density functional theory simulations.

The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study.

We report a combined non-local (PBE-TC-LRC) Density Functional Theory (DFT) and linear-response time-dependent DFT (LR-TDDFT) study of the structural, electronic, and optical properties of the cation-vacancy based defects in aluminosilicate (AlSi) imogolite nanotubes (Imo-NTs) that have been recently proposed on the basis of Nuclear Magnetic Resonance (NMR) experiments. Following numerical determination of the smallest AlSi Imo-NT model capable of accommodating the defect-induced relaxation with negligible finite-size errors, we analyse the defect-induced structural deformations in the NTs and ensuing changes in the NTs' electronic structure. The NMR-derived defects are found to introduce both shallow and deep occupied states in the pristine NTs' band gap (BG).

Evaluation of the performance of classification algorithms for XFEL single-particle imaging data.

Using X-ray free-electron lasers (XFELs), it is possible to determine three-dimensional structures of nanoscale particles using single-particle imaging methods. Classification algorithms are needed to sort out the single-particle diffraction patterns from the large amount of XFEL experimental data. However, different methods often yield inconsistent results.

Structural resolution of inorganic nanotubes with complex stoichiometry.

Determination of the atomic structure of inorganic single-walled nanotubes with complex stoichiometry remains elusive due to the too many atomic coordinates to be fitted with respect to X-ray diffractograms inherently exhibiting rather broad features. Here we introduce a methodology to reduce the number of fitted variables and enable resolution of the atomic structure for inorganic nanotubes with complex stoichiometry. We apply it to recently synthesized methylated aluminosilicate and aluminogermanate imogolite nanotubes of nominal composition (OH)AlOSi(Ge)CH.

Reactivity of He with ionic compounds under high pressure.

Until very recently, helium had remained the last naturally occurring element that was known not to form stable solid compounds. Here we propose and demonstrate that there is a general driving force for helium to react with ionic compounds that contain an unequal number of cations and anions. The corresponding reaction products are stabilized not by local chemical bonds but by long-range Coulomb interactions that are significantly modified by the insertion of helium atoms, especially under high pressure.

Role of Metal Lattice Expansion and Molecular π-Conjugation for the Magnetic Hardening at Cu-Organics Interfaces.

Magnetic hardening and generation of room-temperature ferromagnetism at the interface between originally nonmagnetic transition metals and π-conjugated organics is understood to be promoted by interplay between interfacial charge transfer and relaxation-induced distortion of the metal lattice. The relative importance of the two contributions for magnetic hardening of the metal remains unquantified. Here, we disentangle their role via density functional theory simulation of several models of interfaces between Cu and polymers of different steric hindrance, π-conjugation, and electron-accepting properties: polyethylene, polyacetylene, polyethylene terephthalate, and polyurethane.

Emergent magnetism at transition-metal-nanocarbon interfaces.

Charge transfer at metallo-molecular interfaces may be used to design multifunctional hybrids with an emergent magnetization that may offer an eco-friendly and tunable alternative to conventional magnets and devices. Here, we investigate the origin of the magnetism arising at these interfaces by using different techniques to probe 3d and 5d metal films such as Sc, Mn, Cu, and Pt in contact with fullerenes and rf-sputtered carbon layers. These systems exhibit small anisotropy and coercivity together with a high Curie point.

A Multiscale Mathematical Model of Tumour Invasive Growth.

Known as one of the hallmarks of cancer (Hanahan and Weinberg in Cell 100:57-70, 2000) cancer cell invasion of human body tissue is a complicated spatio-temporal multiscale process which enables a localised solid tumour to transform into a systemic, metastatic and fatal disease. This process explores and takes advantage of the reciprocal relation that solid tumours establish with the extracellular matrix (ECM) components and other multiple distinct cell types from the surrounding microenvironment. Through the secretion of various proteolytic enzymes such as matrix metalloproteinases or the urokinase plasminogen activator (uPA), the cancer cell population alters the configuration of the surrounding ECM composition and overcomes the physical barriers to ultimately achieve local cancer spread into the surrounding tissue.

The Kondo temperature of a two-dimensional electron gas with Rashba spin-orbit coupling.

We use the Hirsch-Fye quantum Monte Carlo method to study the single magnetic impurity problem in a two-dimensional electron gas with Rashba spin-orbit coupling. We calculate the spin susceptibility for various values of spin-orbit coupling, Hubbard interaction, and chemical potential. The Kondo temperatures for different parameters are estimated by fitting the universal curves of spin susceptibility.

Multifunctional Nitrogen-Doped Loofah Sponge Carbon Blocking Layer for High-Performance Rechargeable Lithium Batteries.

Low-cost, long-life, and high-performance lithium batteries not only provide an economically viable power source to electric vehicles and smart electricity grids but also address the issues of the energy shortage and environmental sustainability. Herein, low-cost, hierarchically porous, and nitrogen-doped loofah sponge carbon (N-LSC) derived from the loofah sponge has been synthesized via a simple calcining process and then applied as a multifunctional blocking layer for Li-S, Li-Se, and Li-I2 batteries. As a result of the ultrahigh specific area (2551.

Facilitating model reconstruction for single-particle scattering using small-angle X-ray scattering methods.

X-ray free-electron lasers generate intense femtosecond X-ray pulses, so that high-resolution structure determination becomes feasible from noncrystalline samples, such as single particles or single molecules. At the moment, the orientation of sample particles cannot be precisely controlled, and consequently the unknown orientation needs to be recovered using computational algorithms. This delays the model reconstruction until all the scattering patterns have been re-oriented, which often entails a long elapse of time and until the completion of the experiment.

Superradiance lattice.

We show that the timed Dicke states of a collection of three-level atoms can form a tight-binding lattice in momentum space. This lattice, coined the superradiance lattice (SL), can be constructed based on electromagnetically induced transparency (EIT). For a one-dimensional SL, we need the coupling field of the EIT system to be a standing wave.

Pressure-stabilized lithium caesides with caesium anions beyond the -1 state.

Main group elements usually assume a typical oxidation state while forming compounds with other species. Group I elements are usually in the +1 state in inorganic materials. Our recent work reveals that pressure may make the inner shell 5p electrons of Cs reactive, causing Cs to expand beyond the +1 oxidation state.

Optical diode made from a moving photonic crystal.

Optical diodes controlling the flow of light are of principal significance for optical information processing. They transmit light from an input to an output, but not in the reverse direction. This breaking of time reversal symmetry is conventionally achieved via Faraday or nonlinear effects.