Papers: Envíos recientes
Mostrando ítems 361-380 de 1291
Light-Driven MXene-Based Microrobots: Mineralization of Bisphenol A to CO2 and H2O
Light-driven magnetic MXene-based microrobots (MXeBOTs) have been developed as an active motile platform for efficiently removing and degrading bisphenol A (BPA). Light-driven MXeBOTs are facilitated with the second control ...
Achieving 17.7% Efficiency of Ternary Organic Solar Cells by Incorporating a High Lowest Unoccupied Molecular Orbital Level and Miscible Third Component
A ternary strategy has been demonstrated as being an effective method to improve the power conversion efficiency (PCE); however, general rules for materials selection are not fully comprehended. Herein, nonfullerene acceptor ...
A redox-active inorganic crown ether based on a polyoxometalate capsule
Cation-uptake has been long researched as an important topic in materials science. Herein we focus on a molecular crystal composed of a charge-neutral polyoxometalate (POM) capsule [MoVI72FeIII30O252(H2O)102(CH3CO2)15]3+ ...
A tetrahedron from homooxacalix[3]arene, the fifth Platonic polyhedron from calixarenes and uranyl
A self-assembled tetrahedral cage results from two C3-symmetry building blocks, namely, homooxacalix[3]arene tricarboxylate and uranyl cation, as demonstrated by X-ray crystallography. In the cage, four metals coordinate ...
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Modeling in heterogeneous catalysis requires the extensive evaluation of the energy of molecules adsorbed on surfaces. This is done via density functional theory but for large organic molecules it requires enormous ...
Selective hydrogenolysis of 5-hydroxymethylfurfural to 5-methylfurfural over Au/TiO2
5-Methylfurfural (MF) is a critical commodity chemical used as food additive and synthetic intermediate. Opening a sustainable route towards highly selective synthesis of MF from 5-hydroxymethylfurfural (HMF) is of great ...
Co-doped hydroxyapatite as photothermal catalyst for selective CO2 hydrogenation
The rational design and in deep understanding of efficient, affordable and stable materials to promote the light-assisted production of fuels and commodity chemicals is very appealing for energy crisis and climate change ...
Water-Soluble Aryl- and Super Aryl-Extended Calix[4]pyrroles
The study of molecular recognition processes in water using biomimetic synthetic receptors provides valuable information for understanding more complex biological processes. In the last decade, our group focused on the use ...
Isolation of a Ru(iv) side-on peroxo intermediate in the water oxidation reaction
Oxygen-containing mononuclear ruthenium species such as ruthenium(III)-hydroxo, ruthenium(IV)-oxo, ruthenium(V)-oxo and ruthenium(IV)-peroxo are invoked as key intermediates in O-O bond formation during Ru catalyzed water ...
Quantification of the P=O···HN hydrogen bond in the binding of creatinine with phosphonate calix[4]pyrroles
We report the results of 1H and 31P NMR titrations of a series of calix[4]pyrrole cavitands with hexyl creatinine in dichloromethane solution. We show that all studied calix[4]pyrrole cavitands form thermodynamically and ...
