Abstract Designing new materials with novel topological properties and reduced dimensionality is always desirable for material innovation. Here we report the design of a two-dimensional material, namely Be 5 C 2 monolayer on basis density functional theory computations. In monolayer, each carbon atom binds five beryllium atoms in almost same plane, forming quasi-planar pentacoordinate moiety. appears to have good stability as revealed by its moderate cohesive energy, positive phonon modes...

GeS monolayer is semiconducting with a moderate band gap and it also has rather high carrier mobilities.

Using anionic surfactant as templates, ordered mesoporous silica hollow spheres (MSHSs) with radially oriented mesochannels were synthesized the aid of ultrasonic irradiation. The product was consisted intact and dispersed diameter mostly in range 100−500 nm. possessed uniform shell thickness 35−40 nm, mesopores exhibited well-ordered structure confirmed by X-ray diffraction (XRD) transmission electron microscopy (TEM) measurements. After extraction templates solvent, amino-functionalized...

A covalently coupled hybrid of graphitic carbon nitride (g-C3N4) and reduced graphene oxide (rGO) is fabricated via an in situ chemical synthesis approach used to load Pd nanoparticles. It found that the nanoparticles with average diameter 3.83 nm are evenly deposited on g-C3N4–rGO surface. Compared Pd–rGO commercial Pd–AC (Pd–activated carbon) catalysts, ternary Pd–g-C3N4–rGO nanocomposite exhibits excellent electrocatalytic properties toward both formic acid methanol electrooxidation, such...

Abstract The water‐soluble iridium complex {Cp*Ir[6,6′‐(OH) 2 bpy](H O)}[OTf] (Cp*= η 5 ‐pentamethylcyclopentadienyl, bpy=2,2′‐bipyridine) was found to be a general and highly efficient catalyst for the N ‐alkylation of poor nucleophilic sulfonamides with alcohols as alkylating agents in water. presence OH units bpy ligand is crucially important catalytic activity complex. Mechanistic investigations revealed that catalytically active species ligand‐metal bifunctional bearing an N,N′...

Homogeneous ultrasmall T-Nb2 O5 nanocrystallites encapsulated in 1D carbon nanofibers (T-Nb2 /CNFs) are prepared through electrospinning followed by subsequent pyrolysis treatment. In a Na half-cell configuration, the obtained /CNFs with merits of unique microstructures and inherent pseudocapacitance, deliver stable capacity 150 mAh g-1 at 1 A over 5000 cycles. Even an ultrahigh charge-discharge rate 8 , high reversible 97 is still achieved. By means kinetic analysis, it demonstrated that...

Oriented SnS nanoflakes were bound on S-doped N-rich carbon nanosheets to increase pseudocapacitance, and this composite delivers high Na-storage capacity excellent rate capability.

Well-dispersed Na₃V₂(PO₄)₂F₃@rGO is proposed to improve the kinetics of Na₃V₂(PO₄)₂F₃ cathode materials for high-power sodium-ion batteries.

Abstract Polarization‐sensitive infrared (IR) photodetection plays an important role in fiber optic communication, environmental monitoring, and remote sensing imaging. Semiconductors with quasi‐1D crystal structures exhibit unique optical electrical properties due to their 1D carrier transport channels large surface area‐to‐volume ratio, offering the possibility of high‐performance photodetectors high photogain (G), polarization sensitivity photodetection. Herein, ultra‐broadband (405...

The electronic and magnetic properties of graphene-like ZnO monolayer could be effectively tuned by introducing dopants or CO molecule adsorption.

Motivated by experimental developments on silicene nanosheets, we performed first-principles calculations to study the geometric, electronic and magnetic properties of pristine, N or B doped, as well co-doped nanoribbons (SiNRs). It is shown that substitution for Si preferentially at ribbon edge sites. A singly substituted atom edges results in a semiconductor–metal transition armchair (ASiNRs) because appearance half-filled impurity band near Fermi level. When N/N B/B atoms are doped into...

By density functional theory calculations, we demonstrate that the high selectivity for H2 permeability relative to CH4, CO, and CO2 could be fine adjusted by B or N doping in porous graphene (PG), which is very useful separation of from mixed gases. Also, atomically dispersed Li Ca bindings polyphenylene structure are significantly enhanced doping. The average binding energies fully adsorbed atoms on 2B-PG 1.62 1.75 eV greatly larger than 0.68 1.05 pure PG, respectively. It beneficial...

Flake-shaped Na₃V₂(PO₄)₃@rGO induced by GO is proposed to improve Na⁺ and electron transfer of Na₃V₂(PO₄)₃ as high-rate long-life cathodes for sodium-ion batteries.

We performed first-principles calculations to study the adsorption characteristics of alkali, alkali-earth, group III, and 3d transition-metal (TM) adatoms on germanene. find that alkali or alkali-earth germanene has minimal effects geometry The significant charge transfer from leads metallization germanene, whereas adatom adsorption, whose interaction is a mixture ionic covalent, results in semiconducting behavior with an energy gap 17–29 meV. For III adatoms, they also bind mixed covalent...

Monolayer MoS2, a direct bandgap transition metal dichalcogenide (TMD), has attracted worldwide attention in electronics and optoelectronics. However, the performance of photodetectors based on monolayer MoS2 is restricted to weak optical absorption, narrow absorption range, persistent photoconductance. Herein, benefiting from an easy solution process, high light coefficient, wide environment-friendly CuInSe2 quantum dots (QDs) are hybridized with for high-performance broadband...

Abstract As a promising candidate for large‐scale energy storage, sodium‐ion batteries (SIBs) have superiority due to their low cost and abundance as resource. Herein, homogeneous Sb 2 Se 3 nanocrystallites embedded in carbon nanofibers (Sb /CNFs) by electrospinning selenization treatment are prepared. The obtained /CNFs exhibit good cycling performance, high reversible capacity, excellent rate capability anodes SIBs. outstanding performances attributed combination of Na + intercalation,...

Over the past decade, two-dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted tremendous research interest for future electronics owing to their atomically thin thickness, compelling properties and various potential applications. However, interface engineering including contact optimization channel modulations 2D TMDCs represents fundamental challenges in ultimate performance of ultrathin electronics. This article provides a comprehensive overview basic understanding...

A nanoscale cobalt gradient substitution is introduced to suppress the P2–O2 phase transition and improve Na⁺ kinetics of high-voltage P2-Na_2/3[Ni_1/3Mn_2/3]O₂ cathodes for sodium-ion batteries.

Abstract SnSe as a van der Waals (vdW) layered material has an extremely low light‐dark current ratio and renders its application in high‐performance optoelectronics. Herein, SnSe/InSe vertical‐vdW heterojunction with built‐in electrical field favorable for suppressing the dark is achieved. The behaves self‐driven photodetector typical rectification behavior, photovoltaic effect, broadband detection ranging from visible to near infrared light (405–808 nm). Moreover, at 808 nm still exhibits...