Butterfly-tie like MnCO@MnO heterostructure enhanced the electrochemical performances of aqueous zinc ion batteries.

Due to the limited exploitation and utilization of fossil energy resources in recent years, it is imperative to explore and develop new energy materials. As an electrode material for batteries, MnCO has the advantages of safety, non-toxicity, and wide availability of raw materials. But it also has some disadvantages, such as short cycle period and low conductivity.

Recent Advances in Fluorescent Probes for Zinc Ions Based on Various Response Mechanisms.

Zinc is a vital metal element with extensive applications in various fields such as industry, metallurgy, agriculture, food, and healthcare. For living organisms, zinc ions are indispensable, and their deficiency can lead to physiological and metabolic abnormalities that cause multiple diseases. Hence, there is a significant need for selective recognition and effective detection of free zinc ions.

A Theoretical Study of the Sensing Mechanism of a Schiff-Based Sensor for Fluoride.

In the current work, we studied the sensing process of the sensor (E)-2-((quinolin-8ylimino) methyl) phenol (QP) for fluoride anion (F) with a "turn on" fluorescent response by density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The proton transfer process and the twisted intramolecular charge transfer (TICT) process of QP have been explored by using potential energy curves as functions of the distance of N-H and dihedral angle C-N=C-C both in the ground and the excited states. According to the calculated results, the fluorescence quenching mechanism of QP and the fluorescent response for F have been fully explored.

Design of Fluorescent Hybrid Materials Based on POSS for Sensing Applications.

Polyhedral oligomeric silsesquioxane (POSS) has a nanoscale silicon core and eight organic functional groups on the surface, with sizes from 0.7 to 1.5 nm.

Recent Advance and Modification Strategies of Transition Metal Dichalcogenides (TMDs) in Aqueous Zinc Ion Batteries.

In recent years, aqueous zinc ion batteries (ZIBs) have attracted much attention due to their high safety, low cost, and environmental friendliness. Owing to the unique layered structure and more desirable layer spacing, transition metal dichalcogenide (TMD) materials are considered as the comparatively ideal cathode material of ZIBs which facilitate the intercalation/ deintercalation of hydrated Zn between layers. However, some disadvantages limit their widespread application, such as low conductivity, low reversible capacity, and rapid capacity decline.

Sensing mechanism of fluorogenic urea with fluoride in solvent media: A new fluorescence quenching mechanism.

The interaction of 1-Phenyl-3-(pyren-1-yl) urea (LH) and fluoride anion (F) with a unique ON-OFF-ON fluorescent response has been investigated by the density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The hydrogen-bonding dynamics and photophysical properties of the complex LH-F, as well as its isolated receptor LH and anion form L-H, have been studied in detail. We demonstrate that the intermolecular hydrogen bond (N-H…F) of the complex LH-F is greatly enhanced in the electronically excited state.

Substituent effect on ESIPT and hydrogen bond mechanism of N-(8-Quinolyl) salicylaldimine: A detailed theoretical exploration.

The effects of substituent on excited-state intramolecular proton transfer (ESIPT) and hydrogen bonding of N-(8-Quinolyl) salicylaldimine (QS) have been studied by theoretical calculation with DFT and TDDFT. The representative electron-withdrawing nitryl and electron-donating methoxyl were selected to analyze the effects on geometries, intramolecular hydrogen bond interaction, absorption/fluorescence spectra, and the ESIPT process. The configurations of the three molecules (QS, QS-OMe and QS-NO) were optimized in the ground and excited states.

An Excited State Intramolecular Proton Transfer-Based Fluorescent Probe with a Large Stokes Shift for the Turn-on Detection of Cysteine: A Detailed Theoretical Exploration.

DFT and TDDFT calculations are adopted to study the sensing mechanism of a turn-on-type cysteine fluorescent probe (2-(1-phenyl-imidazo[1,5-α]pyridine-3-yl)phenyl acrylate, denoted as MZC-AC). The photoinduced electron transfer (PET) process of MZC-AC and the excited state intramolecular proton transfer (ESIPT) process of MZC have been investigated in detail. We demonstrate that the fluorescence quenching of MZC-AC is ascribed to the PET mechanism and the large Stokes shift fluorescence emission of MZC is the result of the ESIPT mechanism.

Theoretical study on the sensing mechanism of an ON-OFF-ON type fluoride fluorescent chemosensor.

A density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been used to study the sensing mechanism of an ON-OFF-ON type fluoride anion fluorescent chemosensor (Bis[[7-(diethylamino)-2-oxo-2H-chromene]methyl-ene]‑carbonothioic dihydrazide (CTC). The current theoretical calculation presents a different sensing mechanism from the experimentally proposed one (Sensor and Actuators B 2016, 222, 823-828). Instead of the combination of CTC deprotonation and poorly emissive excited state tautomer or ICT mechanism, the theoretical results predict the sensing mechanism based on dissociation reaction and excited-state proton transfer (ESPT).

Ultrasonic-assisted preparation of metastable hexagonal MoO3 nanorods and their transformation to microbelts.

Metastable hexagonal h-MoO(3) nanorods were synthesized by a simple sonochemical method, and then were transformed into thermodynamically stable a-MoO(3) microbelts by calcination. The obtained samples were characterized by X-ray diffraction (XRD), differential thermal analysis (DTA), field-emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). It was found that the as-prepared h-MoO(3) nanorods were of 0.