Experimental and Theoretical Investigation of the Catalytic Activities of Different Zeolites for the Nitration of Toluene.

Zeolites are used in the field of toluene nitrification reactions, but their intrinsic mechanism is not well explained. In this work, three typical zeolites including HZSM-5, HY, and Hβ are selected as catalysts and used for the nitration of toluene and typical monosubstituted benzenes with NO, and it explores the intrinsic influences on the nitrification of toluene on various zeolites through experimental and theoretical methods. The acidic properties and pore structures of three different zeolites were investigated through appropriate characterization techniques.

Unveiling the exciton dissociation dynamics steered by built-in electric fields in conjugated microporous polymers for photoreduction of uranium (VI) from seawater.

Developing highly efficient photocatalysts based on conjugated microporous polymers (CMPs) are often impeded by the intrinsically large exciton binding energy and sluggish charge transfer kinetics that result from their vulnerable driving force. Herein, a family of pyrene-based nitrogen-implanted CMPs were constructed, where the nitrogen gradient was regulated. Accordingly, the built-in electric field endowed by the nitrogen gradient dramatically accelerates the dissociation of exciton into free carriers, thereby enhancing charge separation efficiency.

Carbazolic Conjugated Microporous Polymers for Photocatalytic Organic Transformations.

Heterogeneous photocatalysis have been deemed as a versatile and colorful platform for exploring efficient transformation systems. Henceforth, the design of photocatalysts underpins a wide range of research interests. By virtue of synthetic versatility, stability, non-toxicity, purely organic properties, tunable semiconductive structures, and remarkable visible-light absorbance, conjugated microporous polymers (CMPs) have emerged as an attractive new class of semiconductor materials that show great potential for tackling important energy and environmental challenges.

Different Crystal Form Titania Supported Ruthenium Nanoparticles for Liquid Phase Hydrodeoxygenation of Guaiacol.

Titania supported Ruthenium-based catalysts were prepared for liquid phase hydrodeoxygenation of guaiacol to cyclohexanol. The catalytic performance is affected by the different crystal forms of titania supports. Anatase and rutile titania supported catalyst 5%Ru/a-r-TiO2 presents higher BET surface area, better dispersion of Ru particles with smaller particle size of 3-4 nm, more acidic centers, and more Ruδ+ located at the boundary between anatase titania and rutile titania.

Electric-Field Effects on Ionic Hydration: A Molecular Dynamics Study.

In this work, we report the electric-field effects on ionic hydration of Cl, Na, and Pb using molecular dynamics simulations. It is found that the effect of weak fields on ionic hydration can be neglected. Strong fields greatly disturb the water orientation in the hydration shells of ions, though ion coordination number remains almost unchanged.