Metal–organic frameworks (MOFs) as photocatalysts and photocatalyst supports combine several advantages of homogeneous and heterogeneous catalyses, including stability, post-reaction separation, catalyst reusability,...Metal–organic frameworks (MOFs) as photocatalysts and photocatalyst supports combine several advantages of homogeneous and heterogeneous catalyses, including stability, post-reaction separation, catalyst reusability,and tunability, and they have been intensively studied for photocatalytic applications. There are several reviews that focus mainly or even entirely on experimental work. The present review is intended to complement those reviews by focusing on computational work that can provide a further understanding of the photocatalytic properties of MOF photocatalysts. We first present a summary of computational methods, including density functional theory, combined quantum mechanical and molecular mechanical methods, and force fields for MOFs. Then, computational investigations on MOF-based photocatalysis are briefly discussed. The discussions focus on the electronic structure, photoexcitation, charge mobility, and photoredox catalysis of MOFs, especially the widely studied Ui O-66-based MOFs.展开更多
With the development of message service in telecom networks as well as the Internet,multiple message service formats have been emerging,including Short Message Service (SMS),Multimedia Messaging Service (MMS),Mobile E...With the development of message service in telecom networks as well as the Internet,multiple message service formats have been emerging,including Short Message Service (SMS),Multimedia Messaging Service (MMS),Mobile Email Message (MEM) and Instant Message (IM).Based on the latest research achievements of OMA CPM Organization and GSMA RCS Organization,the message service evolution may have two phases:Integration and convergence,with corresponding overall framework realization methods.展开更多
基金supported as part of the Nanoporous Materials Genome Center by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Award No. DE-FG0217ER16362
文摘Metal–organic frameworks (MOFs) as photocatalysts and photocatalyst supports combine several advantages of homogeneous and heterogeneous catalyses, including stability, post-reaction separation, catalyst reusability,and tunability, and they have been intensively studied for photocatalytic applications. There are several reviews that focus mainly or even entirely on experimental work. The present review is intended to complement those reviews by focusing on computational work that can provide a further understanding of the photocatalytic properties of MOF photocatalysts. We first present a summary of computational methods, including density functional theory, combined quantum mechanical and molecular mechanical methods, and force fields for MOFs. Then, computational investigations on MOF-based photocatalysis are briefly discussed. The discussions focus on the electronic structure, photoexcitation, charge mobility, and photoredox catalysis of MOFs, especially the widely studied Ui O-66-based MOFs.
文摘With the development of message service in telecom networks as well as the Internet,multiple message service formats have been emerging,including Short Message Service (SMS),Multimedia Messaging Service (MMS),Mobile Email Message (MEM) and Instant Message (IM).Based on the latest research achievements of OMA CPM Organization and GSMA RCS Organization,the message service evolution may have two phases:Integration and convergence,with corresponding overall framework realization methods.
