Berrymack4438

Electronically non-adiabatic effects play an important role in many chemical reactions. However, how these effects manifest in cold and ultracold chemistry remains largely unexplored. Here for the first time we present from first principles the non-adiabatic quantum dynamics of the reactive scattering between ultracold alkali-metal LiNa molecules and Li atoms. We show that non-adiabatic dynamics induces quantum interference effects that dramatically alter the ultracold rotationally resolved reaction rate coefficients. selleck products The interference effect arises from the conical intersection between the ground and an excited electronic state that is energetically accessible even for ultracold collisions. These unique interference effects might be exploited for quantum control applications such as a quantum molecular switch. The non-adiabatic dynamics are based on full-dimensional ab initio potential energy surfaces for the two electronic states that includes the non-adiabatic couplings and an accurate treatment of the long-range interactions. A statistical analysis of rotational populations of the Li2 product reveals a Poisson distribution implying the underlying classical dynamics are chaotic. The Poisson distribution is robust and amenable to experimental verification and appears to be a universal property of ultracold reactions involving alkali metal dimers.Integrating the merits of different components to construct heterostructures for energy storage and conversion has attracted intensive attention. Herein, taking advantage of bimetallic MOFs and transition bimetal hydroxide, we have successfully used nanoflower-like Ni1-xCox(OH)2 as both the precursor and template to in situ construct three dimensional (3D) NiCo-MOF@Ni1-xCox(OH)2 (denoted as MOF@TMH) hierarchical heterostructures. Benefiting from the optimized composition with hierarchical heterostructures assembled by ultrathin nanosheets, MOF@TMH-2 possesses rich effective active sites and high electrochemical reactivity, delivering superior pseudocapacitor performance with a specific capacitance of 1855.3 F g-1 at 2 A g-1 and good rate performance. Besides, MOF@TMH-2 also exhibits excellent OER activity with small overpotentials of 193 mV and 310 mV at 10 and 100 mA cm-2, respectively.3D-printing is revolutionizing the rapid prototyping in analytical chemistry. In the last few years, we observed the development of 3D-printed components for ion studies, such as ion sources, ion transfer and ion mobility spectrometry (IMS) devices. Often, 3D-printed gadgets add functions to existing mass spectrometry (MS) systems. Custom adapters improve the sensibility for coupling with ambient ionization and upstream chromatography methods, and sample preparation units optimize the following MS analyses. Besides, 3D-printer parts are suitable for constructing custom analytical robots and mass imaging systems. Some of those assemblies implement new concepts and are commercially not available. An essential aspect of using 3D-printing is the fast turnover of design improvements, which is motivated by permissive licenses. The easy reproducibility and exchange of ideas lead to a community-driven development, which is accompanied by economic advantages for public research and education.Although great progress has been made in the synthesis of metal nanoparticles, good repeatability and accurate predictability are still difficult to achieve. This difficulty can be attributed to the synthetic method based primarily on observation and subjective experience, and the role of many surfactants remains unclear. It should be noted that surfactants play an important role in the synthetic process. Understanding their function and mechanism in the synthetic process is a prerequisite for the rational design of nanocatalysts with ideal morphology and performance. In this review article, the function of surfactants is introduced first, and then the mechanism of action of surfactants in controlling the morphology of nanoparticles is discussed according to the types of surfactants, and the promoting and sealing effects of surfactants on the crystal surface is revealed. The relationship between surfactants and the morphology structure of nanoparticles is studied. The removal methods of surfactants are discussed, and the existing problems in the current development strategy are summarized. Finally, the application of surfactants in controlling the morphology of metal nanocrystals is prospected. It is hoped that the review can open up new avenues for the synthesis of nanocrystals.Porous organic frameworks (POFs) with predesigned structures and tunable porosities have been widely studied in adsorption and heterogeneous catalysis. Introducing ionic structure into the framework endows POFs with new functionalities that may extend their applications. Here, we report new applications for a guanidinium-based ionic POF (IPOF-Cl) in palladium scavenging and heterogeneous catalysis. Due to the ionic framework and the porous structure, the IPOF-Cl displays fast adsorption kinetics and high adsorption capacities (up to 754 mg g-1) of Na2PdCl4 in aqueous solutions via a chemisorption (ion exchange) process. Significantly, it shows excellent scavenging activity towards trace amount of [PdCl4]2- in aqueous solution. More importantly, the loaded [PdCl4]2- species on the IPOF substrate are further reduced into ultrafine Pd nanoparticles with size of ∼2-5 nm. The obtained IPOF-Pd(0) nanocomposite containing uniformly distributed Pd nanoparticles and hierarchical porous structure demonstrates high activity in catalyzing a range of Suzuki coupling reactions. This study provides new routes for the development of ionic porous organic materials for applications in metal scavenging and catalysis.Using the children's toy, Shrinky-Dink©, we present an aptamer-based electrochemical (E-AB) assay that recognizes the spike protein of SARS-CoV-2 in saliva for viral infection detection. The low-cost electrodes are implementable at population scale and demonstrate detection down to 1 ag mL-1 of the S1 subunit of the spike protein.Strong-field ionization induces various complex phenomena like bond breaking, intramolecular hydrogen migration, and bond association in polyatomic molecules. The H-atom migration and bond formation in CH3OH induced by intense femtosecond laser pulses are investigated using a Velocity Map Imaging (VMI) spectrometer. Various laser parameters like intensity (1.5 × 1013 W cm-2-12.5 × 1013 W cm-2), pulse duration (29 fs and 195 fs), wavelength (800 nm and 1300 nm), and polarization (linear and circular) can serve as a quantum control for hydrogen migration and the yield of Hn+ (n = 1-3) ions which have been observed in this study. Further, in order to understand the ejection mechanism of the hydrogen molecular ions H2+ and H3+ from singly-ionized CH3OH, quantum chemical calculations were employed. The dissociation processes of CH3OH+ occurring by four dissociative channels to form CHO+ + H3, H3+ + CHO, CH2+ + H2O, and H2O+ + CH2 are studied. Using the combined approach of experiments and theory, we have successfully explained the mechanism of intramolecular hydrogen migration and predicted the dissociative channels of singly-ionized CH3OH.