Abstract The current feasibility of nanocatalysts in clinical anti-infection therapy, especially for drug-resistant bacteria infection is extremely restrained because the insufficient reactive oxygen generation. Herein, a novel Ag/Bi 2 MoO 6 (Ag/BMO) nanozyme optimized by charge separation engineering with photoactivated sustainable peroxidase-mimicking activities and NIR-II photodynamic performance was synthesized solvothermal reaction photoreduction. Ag/BMO held satisfactory bactericidal...

Abstract Li–CO 2 batteries are regarded as a promising candidate for the next‐generation high‐performance electrochemical energy storage system owing to their ultrahigh theoretical density and environmentally friendly CO fixation ability. Until now, majority of reported catalysts in powder state. Thus, air electrodes produced 2D rigid bulk structure properties negatively influenced by binder. The nondeformable feature unsatisfactory performance cathode have already become main obstacles that...

Cu

Oxide semiconductors like bismuth-based oxide or layered-double-hydroxide accompanied by many surface oxygen vacancies (OVs) are emerging as highly promising photocatalysts for artificial N2 fixation. However, their band edge reduction potentials actually do not meet nitrogen fixation requirements at all. The mechanism that triggers the photocatalytic NH3 synthesis reaction still remains unclear. Herein, taking BiOBr a prototypical photocatalyst, we reveal photoexcitation-assisted activation...

Single-atom manipulation has emerged as an effective strategy for enhancing the photocatalytic efficiency. However, mechanism of photogenerated carrier dynamics under single-atom modulation remains unclear. Combining first-principles calculations and non-adiabatic molecular simulations, we systematically studied transfer recombination in oxygen reduction reaction single-atom-doped C3N4 systems. Unlike conventional two-step process, where single atoms trap carriers before transferring them to...

Vacancies are commonly introduced in the preparation of transition metal dichalcogenide (TMD) heterostructures, severely affecting photogenerated carrier dynamics. Herein, we systematically explore dynamics TMD heterostructures (metal: Mo, W; chalcogen: S, Se, Te) with most common chalcogen vacancies by nonadiabatic molecular simulations. For monolayers, a vacancy induces defect states around conduction band minimum forming recombination center, while locations different sublayers exhibit...

Abstract The security monitoring of valuables is a crucial concern to ensure the stable development human social business activities, scientific research, production, and daily life. implementation precautions has traditionally involved mere placement items in safes. However, formidable task ascertaining whether have been compromised during storage remains significant challenge. Photochromic materials are important intelligent substances that can be employed as potential candidates for...

Abstract Tin organic–inorganic halide perovskites (tin OIHPs) possess a desirable band gap and their power conversion efficiency (PCE) has reached 14 %. A commonly held view is that the organic cations in tin OIHPs would have little impact on optoelectronic properties. Herein, we show defective with randomly dynamic characteristics can marked effect properties of OIHPs. Hydrogen vacancies originated from proton dissociation FA [HC(NH 2 ) ] FASnI 3 induce deep transition levels but yield...

Mixed perovskites show immense promise for diverse applications owing to their exceptional compositional flexibility and outstanding optoelectronic performance. Nevertheless, a significant hurdle in widespread use is susceptibility instability. Some mixed exhibit tendency segregate into regions with varying halide content, negatively impacting the material's electronic properties impeding its overall advancement. This study focuses on investigating lattice A-site cation dynamics mixed-halide...

The lifetime and mobility of hot carriers are critical parameters for assessing the performance optoelectronic materials, as they directly impact response speed operational efficiency devices. Combining first-principles calculations with nonadiabatic molecular dynamics (NAMD) simulations, we systematically investigated electronic properties carrier monolayer NbOI

Transition metal dichalcogenide/graphene (TMDC/Gr) heterojunction devices exhibit significantly higher photoresponsivity compared to TMDC alone, making them promising for optoelectronic applications. However, experiments demonstrated that graphene cannot prolong the photogenerated carrier lifetime of TMDC/Gr heterojunctions and, further, high density sulfur vacancies in TMDCs complicates dynamics, leaving underlying physical mechanism behind unclear. Herein, we investigate transfer and...

Cloud computing has been widely used because of its low price, high reliability, and generality services. However, considering that cloud transactions between users service providers are usually asynchronous, data privacy involving may lead to a crisis trust, which in turn hinders the expansion applications. In this paper, we propose DPP, privacy-preserving scheme based on homomorphic encryption, achieves correctness, compatibility, security. DPP implements by introducing encryption. To...

Blockchain technology has attracted significant attention since its publication. However, most existing blockchain platforms are isolated systems, which makes it difficult to exchange data among different blockchains. The industry proposed the notary schemes enhance interoperability, can messages blockchains through a notary. conventional centralized, suffers from single point of failures. To address these issues, this paper proposes distributed cross-chain model with regulatory mechanisms,...

Multifunctional devices based on 2D organic/inorganic van der Waals heterostructures (2D OIHs) exhibit excellent properties due to extensive and flexible structural tunability. However, how precisely regulate via in situ monitoring technique remains a great challenge, corresponding development is still its infancy. In this Letter, we show that Raman spectroscopy can serve as an effective detection strategy systematically observe the interfacial electron–phonon coupling (IEPC) between...

Crystal defects play a vital role in physical and chemical properties of two-dimensional (2D) materials. The computational cost for real defective system with more than thousands atoms is considerably high. Here, we propose framework to accurately predict the formation energy 2D materials, graphene molybdenum disulfide (MoS2), at large scale, by combining deep learning techniques density functional calculations. To improve training performance models, multi-layer structure descriptor using...

Transition-metal dichalcogenide (TMD) nanotubes with small band gap exhibit higher photocurrent than their layered counterparts [J. H. Smet and Y. Iwasa, Nature (London) 570, 349 (2019); X. Zhou et al., Small 15, 1902528 (2019)], but the mechanism remains unclear. Herein, using ${\mathrm{WS}}_{2}$ as an example, we revealed that photovoltaic effect of originates from quantum coherence between edges in perspective photogenerated carrier recombination. By first-principles calculations...

Two-dimensional lead halide perovskites (2D HPs) represent as an emerging class of materials given their tunable optoelectronic properties and long-term stability in perovskite solar cells. However, the ever-growing field devices using 2D HPs requires fundamental understanding influence spacer on physiochemical well establish which cation are closely related to suppress halogen ion mobility. This study focuses investigating organic spacers with intrinsic (e.g., rigidity flexibility, special...

The interface between metal matrix and reinforcement significantly affects mechanical properties of composites (MMCs), but the interplay mechanism among microstructure, binding, is still unclear. Herein, microstructure binding β‐SiC (111)/α‐Ti (0001) composite are regulated through introduction Sc, Y, Mg, Al, Si, Ni, Cu, Mn dopants. Adhesive work elastic different doped interfaces studied by first‐principles calculations. It found that modulus does not directly relate to adhesive work....