Electronic structure modeling of metal–organic frameworks

JL Mancuso, AM Mroz, KN Le, CH Hendon - Chemical reviews, 2020 - ACS Publications
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …

Metal‐organic framework derived porous structures towards lithium rechargeable batteries

SA Han, H Qutaish, JW Lee, MS Park, JH Kim - EcoMat, 2023 - Wiley Online Library
Batteries are a promising technology in the field of electrical energy storage and have made
tremendous strides in recent few decades. In particular, lithium‐ion batteries are leading the …

Harnessing MOF materials in photovoltaic devices: recent advances, challenges, and perspectives

CC Chueh, CI Chen, YA Su, H Konnerth… - Journal of Materials …, 2019 - pubs.rsc.org
Metal–organic framework (MOF) materials have achieved significant research interest in the
fields of gas storage and separation over the last two decades because of the need for …

MOF-based electronic and opto-electronic devices

V Stavila, AA Talin, MD Allendorf - Chemical Society Reviews, 2014 - pubs.rsc.org
Metal–organic frameworks (MOFs) are a class of hybrid materials with unique optical and
electronic properties arising from rational self-assembly of the organic linkers and metal …

Metal–organic frameworks as platforms for clean energy

SL Li, Q Xu - Energy & Environmental Science, 2013 - pubs.rsc.org
In order to void environmental pollution and an energy shortage, the application of clean
and renewable energy, such as solar, instead of fossil fuel is foreseen as a prospective …

A mini review on metal-organic framework-based electrode materials for capacitive deionization

MS Khan, ZY Leong, DS Li, J Qiu, X Xu, HY Yang - Nanoscale, 2023 - pubs.rsc.org
Capacitive deionization (CDI) is an electrochemical method of extracting ions from solution
at potentials below electrolysis. It has various applications ranging from water remediation …

Exceptional adsorption of arsenic by zirconium metal-organic frameworks: Engineering exploration and mechanism insight

X He, F Deng, T Shen, L Yang, D Chen, J Luo… - Journal of colloid and …, 2019 - Elsevier
Highly stable zirconium metal-organic frameworks (UiO-66 and UiO-66 (NH 2)) had been
synthesized and investigated to remove arsenic (As) from contaminated water. The As (III, V) …

Multifunctional NH 2-mediated zirconium metal–organic framework as an efficient visible-light-driven photocatalyst for selective oxidation of alcohols and reduction of …

L Shen, S Liang, W Wu, R Liang, L Wu - Dalton Transactions, 2013 - pubs.rsc.org
Metal–organic frameworks (MOFs) have been arousing a great interest owing to their unique
physicochemical properties. In this work, Zr-benzenedicarboxylate (UiO-66) and its …

Visible‐light‐responsive 2D cadmium–organic framework single crystals with dual functions of water reduction and oxidation

Y Xiao, Y Qi, X Wang, X Wang, F Zhang… - Advanced …, 2018 - Wiley Online Library
The development of new metal–organic frameworks (MOFs) with dual functions of both
water reduction and oxidation under visible‐light irradiation is highly desirable for promising …

Quantum-chemical characterization of the properties and reactivities of metal–organic frameworks

SO Odoh, CJ Cramer, DG Truhlar, L Gagliardi - Chemical reviews, 2015 - ACS Publications
The present review is concerned with quantum mechanical electronic structure calculations
on metal− organic frameworks (MOFs) to elucidate their properties and functionalities. There …