Quantum

Developing an insoluble cross-linkable hole transport layer (HTL) plays an important role for solution-processed quantum dots light-emitting diodes (QLEDs) to fabricate a multilayer device with separated quantum dots layers and HTLs. In this work, a facile photothermal synergic cross-linking strategy is simultaneous annealing and UV irradiation to form the high-quality cross-linked film as the HTL without any photoinitiator, which efficiently reduces the cross-linking temperature to the low temperature of 130 °C and enhances the hole mobility of the 3-vinyl-9-{4-[4-(3-vinylcarbazol-9-yl)phenyl]phenyl}carbazole (CBP-V) thin films...

Photocatalytic overall water splitting (POWS) is a promising approach for solar-to-hydrogen conversion. For achieving this target, it is urgent to develop efficient photocatalysts. Constructing a heterojunction and loading a cocatalyst are two effective strategies for enhancing POWS. However, how to achieve the cooperation of loading the cocatalyst site with the charge separation of a heterojunction remains a huge challenge. Herein, we present an ingenious method: precisely assembling a H2 O2 -producing cocatalyst CoO on Tb4 O7 /CN...

The interplay between strong Coulomb interactions and kinetic energy leads to intricate many-body competing ground states owing to quantum fluctuations in 2D electron and hole gases. However, the simultaneous observation of quantum critical phenomena in both electron and hole regimes remains elusive. Here, we utilize anisotropic black phosphorus (BP) to show density-driven metal-insulator transition with a critical conductance ∼ e 2 / h which highlights the significant role of quantum fluctuations in both hole and electron regimes...

With the rapid development of Quantum Machine Learning, quantum neural networks (QNN) have experienced great advancement in the past few years, harnessing the advantages of quantum computing to significantly speed up classical machine learning tasks. Despite their increasing popularity, the quantum neural network is quite counter-intuitive and difficult to understand, due to their unique quantum-specific layers (e.g., data encoding and measurement) in their architecture. It prevents QNN users and researchers from effectively understanding its inner workings and exploring the model training status...

The bromide-chloride mixed quasi-two-dimensional (2D) perovskite, with a natural quantum well structure and tunable exciton binding energy, has gained significant attention for high-performance blue perovskite light-emitting diodes (PeLEDs). However, the relative importance of having a low trap state density or efficient exciton transfer for high-efficiency electroluminescence (EL) performance remains elusive. Here, two molecules with the benzoic acid group, sodium 4-fluorobenzoate (SFB) and 3,5-dibromobenzoic acid (DBA), are used to modulate the phase distribution and trap state to explore the effect between energy transfer and defect passivation...

The development of single-system materials that exhibit both multi-color room-temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) with tunable afterglow colors and channels is challenging. In this study, we developed four metal-free carbon dots (CDs) through structural tailoring and achieved panchromatic high-brightness RTP via strong chemical encapsulation in urea. The maximum lifetime and quantum yield reached 2141 ms and 56.55%, respectively. Moreover, CDs-IV@urea, prepared via core-shell interaction engineering, exhibited a dual afterglow of red RTP at 622 nm and green TADF...

A dual-mode (colorimetric/fluorescence) nanoenzyme-linked immunosorbent assay (NLISA) was developed based on Au-Cu nanocubes generating Prussian blue nanoparticles (PBNPs). It is expected that this method can be used to detect the residues of sulfonamides in the field, and solve the problem of long analysis time and high cost of the traditional method. Sulfadimethoxine (SDM) was selected as the proof-of-concept target analyte. The Au-Cu nanocubes were linked to the aptamer by amide interaction, and the Au-Cu nanocubes, SDM and antibody were immobilized on a 96-well plate using the sandwich method...

A series of novel Eu3+ -activated Ba2 Gd2/3 TeO6 (BGT) phosphors were successfully synthesised via a high temperature solid state reaction method. The crystal structure analysis showed that Eu3+ -doped Ba2 Gd2/3 TeO6 double perovskite phosphors possess monoclinic symmetry with space group P 21 / n . The as-prepared phosphors can be efficiently excited by far-ultraviolet light to generate reddish orange luminescence of around 593 nm corresponding to the 5 D0 → 7 F1 transitions of Eu3+ ions. Gd3+ acts as a sensitizer for luminescence enhancement...

Monolayer transition metal dichalcogenides (TMDs) are considered promising building blocks for next-generation photonic and optoelectronic devices, owing to their fascinating optical properties. However, their inherent weak light absorption and low quantum yield severely hinder their practical applications. Here, we report up to 18000-fold photoluminescence (PL) enhancement in a monolayer WSe2 -coupled plasmonic nanocavity. A spectroscopy-assisted nanomanipulation technique enables the assembly of a nanocavity with customizable resonances to simultaneously enhance the excitation and emission processes...

An operator formulation of centroid molecular dynamics (CMD) for rotational degrees of freedom is presented. The quasi-density operator concept was introduced by Jang and Voth [J. Chem. Phys 111 , 2357 (1999)] and is used to obtain a phase-space mapping without the need for discretized path integrals. The approach allows the calculation of approximate Kubo-transformed time correlation functions. The particle on a ring is chosen as an illustrative example. Numerical results demonstrate that the proposed approach leads to accurate results when compared with exact diagonalization calculations for linear operators...

HORTON is a free and open-source electronic-structure package written primarily in Python 3 with some underlying C++ components. While HORTON's development has been mainly directed by the research interests of its leading contributing groups, it is designed to be easily modified, extended, and used by other developers of quantum chemistry methods or post-processing techniques. Most importantly, HORTON adheres to modern principles of software development, including modularity, readability, flexibility, comprehensive documentation, automatic testing, version control, and quality-assurance protocols...

The non-equilibrium Green's function (NEGF) and quantum master equation (QME) are two main classes of approaches for electronic transport. We discuss various Floquet variances of these formalisms for transport properties of a quantum dot driven via interaction with an external periodic field. We first derived two versions of the Floquet NEGF. We also explore an ansatz of the Floquet NEGF formalism for the interacting systems. In addition, we derived two versions of Floquet QME in the weak interaction regime...

Chiral quantum dots (QDs) are promising materials applied in many areas, such as chiral molecular recognition and spin selective filter for charge transport, and can be prepared by facile ligand exchange approaches. However, ligand exchange leads to an increase in surface defects and reduces the efficiencies of radiative recombination and charge transport, which restricts further applications. Here, we investigate the light-induced photoluminescence (PL) enhancement in chiral L- and D-cysteine CdSe QD thin films, providing a strategy to increase the PL...

The rotational relaxation of CO2 by inelastic collisions has been studied in three supersonic jets. The jets were probed by means of Raman spectroscopy with high spectral and spatial resolutions, measuring the rotational populations and the total number density. The time evolution of the rotational populations was analyzed by means of a kinetic master equation, with the help of the energy-corrected sudden power law to relate the numerous state-to-state rate (STS rates) coefficients. In the thermal range investigated, 60-260 K, the STS rates decrease with increasing temperature and with increasing change in the rotational quantum number...

Light-element-based fluorescent materials, colloidal graphene quantum dots, and carbon dots (CDs) have sparked an immense amount of scientific interest in the past decade. However, a significant challenge in practical applications has emerged concerning the development of solid-state fluorescence (SSF) materials. This study addresses this knowledge gap by exploring the unexplored photonic facets of C-based solid-state microphotonic emitters. The proposed synthesis approach focuses on carbonized polymer microspheres (CPMs) instead of conventional nanodots...

We present the synthesis and magneto-thermal properties of carborane-based lanthanide metal-organic frameworks (MOFs) with the formula {[(Ln)3 ( m CB-L)4 (NO3 )(DMF) n ]·Solv}, where Ln = Dy or Tb, characterized by dc and ac susceptibility, X-ray absorption spectroscopy (XAS), X-ray magnetic circular dichroism (XMCD) and heat capacity measurements. The MOF structure is formed by polymeric 1D chains of Ln ions with three different coordination environments (Ln1, Ln2, Ln3) running along the b -axis, linked by carborane-based linkers thus to provide a 3D structure...

We investigate the influence of quantum interference (QI) and broken spin-symmetry on the thermoelectric response of node-possessing junctions, finding a dramatic enhancement of the spin-thermopower ( S s ), figure-of-merit ( Z s T ), and maximum thermodynamic efficiency (ηs max ) caused by destructive QI. Using many-body and single-particle methods, we calculate the response of 1,3-benzenedithiol and cross-conjugated molecule-based junctions subject to an applied magnetic field, finding nearly universal behavior over a range of junction parameters with S s , Z s T , and reaching peak values of <mml:math xmlns:mml="https://www...

With the increasing integration of nanomaterials into daily life, the potential ecotoxicological impacts of nanoparticles (NPs) have attracted increased attention from the scientific community. This study assessed the ecotoxicity of ZnS quantum dots (QDs) doped with varying molar concentrations of Mn2+ on Chlorella vulgaris . The ZnS:Mn QDs were synthesized using the polyol method. The size of the ZnS:Mn QDs ranged from approximately 1.1 nm to 2 nm, while the aggregation size in Seine River water was 341 nm at pH 6 and 8...

Mycotoxins are secondary metabolites of certain moulds, prevalent in 60-80% of food crops and many processed products but challenging to eliminate. Consuming mycotoxin-contaminated food and feed can lead to various adverse effects on humans and livestock. Therefore, testing mycotoxin residue levels is critical to ensure food safety. Gold standard analytical methods rely on liquid chromatography coupled with optical detectors or mass spectrometers, which are high-cost with limited capacity. This study reported the successful development of a microfluidic "lab-on-a-chip" device to enrich and detect zearalenone in food samples based on the fluorescence quenching effect of quantum dots and selective affinity of molecularly imprinted polymers (MIPs)...

Corrosion protection of metal has become an important and urgent topic, which requires the development of an inexpensive, environmentally friendly, and highly efficient corrosion inhibitor. Herein, a sweet potato leaf extract (SPL) was obtained by a simple water-based extraction method and then as a green corrosion inhibitor for 6N01 Al alloy in the seawater was well investigated by the weight loss method and various electrochemical tests. Fourier transform infrared (FT-IR) and ultraviolet-visible (UV-vis) spectroscopies were carried out to investigate the compositions of SPL...