Electronic structure modeling of metal–organic frameworks
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …
Theoretical studies of metal-organic frameworks: Calculation methods and applications in catalysis, gas separation, and energy storage
G Hai, H Wang - Coordination Chemistry Reviews, 2022 - Elsevier
Abstract Metal-organic frameworks (MOFs), a functional material with a large specific surface
area and high porosity have attracted increasing attention for their great potential in various …
area and high porosity have attracted increasing attention for their great potential in various …
Computational studies of photocatalysis with metal–organic frameworks
Metal–organic frameworks (MOFs) as photocatalysts and photocatalyst supports combine
several advantages of homogeneous and heterogeneous catalyses, including stability, post …
several advantages of homogeneous and heterogeneous catalyses, including stability, post …
Imparting Multifunctionality by Utilizing Biporosity in a Zirconium‐Based Metal–Organic Framework
In this work, we have synthesized nanocomposites made up of a metal–organic framework
(MOF) and conducting polymers by polymerization of specialty monomers such as pyrrole …
(MOF) and conducting polymers by polymerization of specialty monomers such as pyrrole …
[HTML][HTML] Molecular dye-sensitized photocatalysis with metal-organic framework and metal oxide colloids for fuel production
PM Stanley, J Warnan - Energies, 2021 - mdpi.com
Colloidal dye-sensitized photocatalysis is a promising route toward efficient solar fuel
production by merging properties of catalysis, support, light absorption, and electron …
production by merging properties of catalysis, support, light absorption, and electron …
Benchmark Investigation of SCC-DFTB against Standard and Hybrid DFT to Model Electronic Properties in Two-Dimensional MOFs for Thermoelectric Applications
M Mahmoudi Gahrouei, N Vlastos… - Journal of Chemical …, 2024 - ACS Publications
Recent studies have shown that metal− organic frameworks (MOFs) have potential as
thermoelectric materials, and the topic has received increasing attention. The main …
thermoelectric materials, and the topic has received increasing attention. The main …
[PDF][PDF] Angewandte
A Jadhav, K Gupta, P Ninawe, N Ballav - academia.edu
Akzeptierter Artikel Page 1 Angewandte Eine Zeitschrift der Gesellschaft Deutscher Chemiker
www.angewandte.de Chemie Akzeptierter Artikel Titel: Imparting Multi-functionality by Utilizing …
www.angewandte.de Chemie Akzeptierter Artikel Titel: Imparting Multi-functionality by Utilizing …
Modulation of Electrical and Thermal Conductivity in Metal-Organic Framework by Conducting Polymer
A JADHAV - 2019 - dr.iiserpune.ac.in
Metal-Organic Frameworks (MOFs) are well explored candidates in numerous fields such as
gas storage, separation, sensing and more, however, most of them are intrinsically …
gas storage, separation, sensing and more, however, most of them are intrinsically …
[引用][C] Theoretical Studies of Metal-Organic Frameworks: Calculation Methods and Applications in Catalysis, Gas Separation and Battery
G Hai, X Liu - Gas Separation and Battery