Abstract Compared with noble metals, semiconductors surface plasmon resonance effect are another type of SERS substrate materials. The main obstacles so far that the semiconducting materials often unstable and easy to be further oxidized or decomposed by laser irradiating contacting corrosive substances. Here, we report metallic MoO 2 can used as a detect trace amounts highly risk chemicals including bisphenol A (BPA), dichloropheno (DCP), pentachlorophenol (PCP) on. minimum detectable...

In this Article, ZnO nanofibers were prepared by electrospinning. The as-prepared electrospun fibers treated with plasma. morphology, structure, and element content of the greatly changed after treatment different plasmas. test results indicated that acetone-sensing performance was remarkably improved for oxygen-plasma-assisted nanofibers. Furthermore, density function theory (DFT) calculation revealed acetone adsorption energy oxygen plasma 2 times greater than untreated nanofibers,...

Abstract As a two-dimensional carbon allotrope, graphdiyne possesses direct band gap, excellent charge carrier mobility, and uniformly distributed pores. Here, surfactant-free growth method is developed to efficiently synthesize hollow microspheres at liquid‒liquid interfaces with self-supporting structure, which avoids the influence of surfactants on product properties. We demonstrate that pristine microspheres, without any additional functionalization, show strong surface-enhanced Raman...

The deposition and hydrolysis reaction of SO2 + H2O in small clusters sulfuric acid water are studied by theoretical calculations the molecular SO2–(H2SO4)n–(H2O)m (m = 1,2; n 1,2). Sulfuric exhibits a dramatic catalytic effect on as it lowers energy barrier over 20 kcal/mol. with monohydrated (SO2 H2SO4 – H2O) has lowest 3.83 kcal/mol, which cluster H2SO4–(H2O)2 forms initially at entrance channel. barriers for three reactions order (H2SO4)–H2O > (H2SO4)2–H2O H2SO4–H2O. Furthermore,...

Semiconductor-based surface-enhanced Raman spectroscopy is getting more and attention because of its great price advantage. One the biggest obstacles to large-scale application it poor stability. Here, we report that plasmonic MoO2 nanospheres can be used as a highly sensitive stable semiconducting-substrate material for scattering (SERS). By using substrates, series typical compounds with high accurately detected. This new non-noble metal substrate shows very detection limit 10-8 M,...

Abstract Molybdenum nitride (δ–MoN) is an important functional material due to its impressive catalytic, energy storage, and superconducting properties. However, the synthesis of δ–MoN usually requires extremely harsh conditions; thus, insight into δ−MoN far behind that oxides sulfides molybdenum. Herein, we report ultrathin nanosheets are prepared at 270 °C 12 atm. WN, VN, TiN also synthesized by this method. The show strong surface plasmon resonance, high conductivity, excellent thermal...

δ-InP₃ monolayer possesses high electronic mobility and worthwhile sensing performance toward N-based gases (particularly NO₂).

Abstract Transition metal nitrides have been widely studied due to their high electrical conductivity and excellent chemical stability. However, preparation traditionally requires harsh conditions because of the ultrahigh activation energy barrier they need cross in nucleation. Herein, we report three-dimensional porous VN, MoN, WN, TiN with surface area porosity that are prepared by a general mild molten-salt route. Trace water is found be key factor for formation these transition nitrides....

γ-Mo2N and δ-MoN are the two most important molybdenum nitrides, but controllable preparation of them with high surface area has not been achieved. Herein, we achieved selective δ-MoN. The key factor for is to control crystal phase precursor MoO3. In H2O NH3 mixed gas, α-MoO3 nanoribbons nitridated obtain single-crystal porous nanobelts, while h-MoO3 prisms nitrided hierarchical columns. corrosion effect plays a role in formation structure. flexible membrane composed nanobelts exhibits...

It is a major challenge to synthesize crystalline transition-metal nitride (TMN) ultrathin nanocrystals due their harsh reaction conditions. Herein, we report that highly tungsten (W2N, WN, W3N4, W2N3) with small size and excellent dispersibility are prepared by mild general in situ surface restraint-induced growth method. These ultrafine immobilized carbon layers, forming an interesting hybrid nanobelt structure. The WN/C nanobelts exhibit strong localized plasmon resonance (LSPR) effect...

Using swarm-intelligence structure-search method in conjunction with structure design via the assembly of organic units, we identified a novel holey α-C 3 N 2 monolayer as superior anode material LIBs ultra-high specific capacity.

Synthesis pressure and structural stability are two crucial factors for highly energetic materials, recent investigations have indicated that cerium is an efficient catalyst N2 reduction reactions. Here, we systematically explore Ce–N compounds through first-principles calculations, demonstrating the atom can weaken strength of N≡N bond a rich variety polynitrides be formed under moderate pressure. Significantly, P1̄-CeN6 possesses lowest synthesis 32 GPa among layered metal owing to strong...

We report a robust and highly active photocatalyst for the C3H6 evolution reaction that is constructed by surfactant-free growth of oxygen vacancy-rich MoO3−x ultrathin nanobelts. Under visible-light irradiation, new catalyst can selectively (95% selectivity) dehydrate isopropyl alcohol into with yields above 98%.

We propose a series of planar boron allotropes with honeycomb topology and demonstrate that their band structures exhibit Dirac cones at the K point, same as graphene. In particular, point one sheet locates precisely on Fermi level, rendering it topologically equivalent material to Its velocity (vf) is 6.05 × 105 m/s, close Although freestanding B are higher in energy than α-sheet, our calculations show metal substrate can greatly stabilize these new allotropes. They actually more stable...

Abstract Black phosphorus (BP) has emerged as a promising thermoelectric candidate because of its strong electronic and thermal anisotropy, suggesting large σ/κ ratio can be realized by controlling carrier transport orientation for potentially high ZT. Nevertheless, to date, low conversion efficiency (ZT ≈0.08, 300 K) poor stability BP remain the major issues that have hampered practical applications. This work reports material family in simple composition XP 7 , 3 (X = N, As, Sb, Bi) with...

Energy density can be substantially raised and even maximized if the bulk of an electrode material is fully utilized. Transition metal oxides based on conversion reaction mechanism are imperative choice due to either constructing nanostructure or intercalation pseudocapacitance with their intrinsic limitations. However, utilization transition hindered by poor understanding atomic‐level mechanism, particularly it largely missing at clarifying how phase transformation (conversion reaction)...

Abstract Twist‐angle two‐dimensional (2D) systems are attractive in their exotic and tunable properties by the formation of moiré superlattices, allowing easy access to manipulating intrinsic electrical thermal properties. Here, angle‐dependent thermoelectric twisted bilayer black phosphorene (tbBP) first‐principles calculations reported. The simulations show that significantly enhanced Seebeck coefficient power factor can be achieved p ‐type tbBP due merging multi‐valley electronic states...

Directly and quickly detecting toxic gases in the air is urgently needed industrial production our daily life. However, poor gas selectivity low sensitivity under ambient conditions limit development of sensors. In this work, we demonstrate that penta-BeP2 monolayer an excellent sensor by using first-principles calculations. The calculated results show semiconducting can chemisorb molecules (including CO, NH3, NO, NO2) with distinct charge transfer (-0.182 to 1.129 e) but negligibly interact...

Controlling the structure of graphdiyne (GDY) is crucial for discovery new properties and development applications. Herein, microemulsion synthesis GDY hollow spheres (HSs) multiwalled nanotubes composed ultrathin nanosheets reported first time. The formation an oil-in-water (O/W) found to be a key factor controlling growth GDY. These HSs have fully exposed surfaces because avoidance overlapping between nanosheets, thereby showing ultrahigh specific surface area 1246 m2 g-1 potential...

Unlike graphene derived from graphite, borophenes represent a distinct class of synthetic two-dimensional materials devoid analogous bulk-layered allotropes, leading to covalent bonding within instead van der Waals (vdW) stacking. Our investigation focuses on 665 vdW-stacking boron bilayers uncover potential allotropes through vdW Systematic high-throughput screening and stability analysis reveal prevailing inclination toward covalently bonded layers in the majority bilayers. However, an...