Vanadium-and manganese-based metal-organic frameworks for potential environmental and catalysis applications

Y Pan, S Sanati, R Abazari, A Jankowska… - Coordination Chemistry …, 2025 - Elsevier
Industrialization has significantly compromised air quality, environmental health, and human
well-being. Therefore, it is highly necessary to develop efficient and cost-effective strategies …

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 …

Crystal transformation in zeolitic-imidazolate framework

ZX Low, J Yao, Q Liu, M He, Z Wang… - Crystal growth & …, 2014 - ACS Publications
The phase transformation of a zinc-2-methylimidazole-based zeolitic-imidazolate framework
(ZIF), from a recently discovered ZIF-L to ZIF-8, was reported. ZIF-L is made up of the same …

A Flexible Photoactive Titanium Metal–Organic Framework Based on a [TiIV33‐O)(O)2(COO)6] Cluster

B Bueken, F Vermoortele… - Angewandte Chemie …, 2015 - Wiley Online Library
The synthesis of titanium–carboxylate metal–organic frameworks (MOFs) is hampered by
the high reactivity of the commonly employed alkoxide precursors. Herein, we present an …

Pillared-layered metal–organic frameworks for mechanical energy storage applications

J Wieme, SMJ Rogge, PG Yot, L Vanduyfhuys… - Journal of Materials …, 2019 - pubs.rsc.org
Herein we explore the unique potential of pillared-layered metal–organic frameworks of the
DMOF-1 family for mechanical energy storage applications. In this work, we theoretically …

Implications of vanadium in technical applications and pharmaceutical issues

D Rehder - Inorganica Chimica Acta, 2017 - Elsevier
This overview addresses technical, biological and medicinal aspects of vanadium chemistry
with special emphasis directed towards recent developments in industrial areas and …

[HTML][HTML] Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

ZG Gu, L Heinke, C Wöll, T Neumann… - Applied Physics …, 2015 - pubs.aip.org
The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the
attention due to potential applications in sensor techniques and (micro-) electronic …

Exploring the flexibility of MIL-47 (V)-type materials using force field molecular dynamics simulations

J Wieme, L Vanduyfhuys, SMJ Rogge… - The Journal of …, 2016 - ACS Publications
The flexibility of three MIL-47 (V)-type materials (MIL-47, COMOC-2, and COMOC-3) has
been explored by constructing the pressure versus volume and free energy versus volume …

Unusually large band gap changes in breathing metal–organic framework materials

S Ling, B Slater - The Journal of Physical Chemistry C, 2015 - ACS Publications
Many of the potential applications for metal–organic frameworks (MOFs) focus on exploiting
their porosity for molecular storage, release, and separation, where the functional behavior …

Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47 (V) framework

DEP Vanpoucke, K Lejaeghere… - The Journal of …, 2015 - ACS Publications
Modeling the flexibility of metal–organic frameworks (MOFs) requires the computation of
mechanical properties from first principles, eg, for screening of materials in a database, for …