Density Functional Theory

Theoretical Research on Self-assembled Phenobarbital and Acrylamide Systems

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Theoretical Research on Self-assembled Phenobarbital and Acrylamide Systems

Theoretical Research on the Self-assembly System of Molecularly Imprinted Polymers Formed via Phenobarbital and Acrylamide WANG Guang-Yu (王光宇) LIU Jun-Bo (刘俊渤) TANG Shan-Shan (唐珊珊) CHANG Hai-Bo (常海波) JIN Rui-Fa (靳瑞发) Chinese J. Struct. Chem., 38, 1069 (2019) To prepare phenobarbital (PHN) molecularly imprinted polymers (MIPs) with higher adsorption and selectivity, this paper employed quantum chemical … Read more

Lattice Distorted Pt Wrinkle Nanoparticles for Efficient Hydrogen Electrocatalysis

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Lattice Distorted Pt Wrinkle Nanoparticles for Efficient Hydrogen Electrocatalysis

Introducing lattice distortion to modulate the surface of platinum (Pt) has become an extremely effective strategy to significantly enhance the kinetics of hydrogen evolution and oxidation reactions in alkaline environments.In this study, we prepared lattice distorted platinum wrinkle nanoparticles (LD-Pt WNPs) for efficient hydrogen electrocatalysis.LD-Pt WNPs not only surpassed the performance of the Pt/C benchmark … Read more