Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study

Nanoporous ZIF-67 embedded polymers of intrinsic microporosity membranes with enhanced gas separation performance

(2018) Xingyu Wu et al.   JOURNAL OF MEMBRANE SCIENCE

Study on the Adsorption, Diffusion and Permeation Selectivity of Shale Gas in Organics

(2017) Zhouhua Wang et al.   Energies

ZIF-8 Membrane Ethylene/Ethane Transport Characteristics in Single and Binary Gas Mixtures

(2017) Joshua B. James et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Synthesis of Manganese ZIF-8 from [Mn(BH4)2·3THF]·NaBH4

(2017) Kentaro Kadota et al.   INORGANIC CHEMISTRY

A new superior competitor for exceptional propylene/propane separations: ZIF-67 containing mixed matrix membranes

(2017) Heseong An et al.   JOURNAL OF MEMBRANE SCIENCE

Grain size control of ZIF-8 membranes by seeding-free aqueous synthesis and their performances in propylene/propane separation

(2017) Shunsuke Tanaka et al.   JOURNAL OF MEMBRANE SCIENCE

Importance of ZIF-90 Lattice Flexibility on Diffusion, Permeation, and Lattice Structure for an adsorbed H2/CH4 Gas Mixture: A Re-Examination by Gibbs Ensemble Monte Carlo and Molecular Dynamics Simulations

(2017) T. Chokbunpiam et al.   Journal of Physical Chemistry C

In Situ Observation of Gas Adsorption onto ZIF-8 Using Terahertz Waves

(2017) Takenori Tanno et al.   Journal of Physical Chemistry C

Computational Study of ZIF-8 and ZIF-67 Performance for Separation of Gas Mixtures

(2017) Panagiotis Krokidas et al.   Journal of Physical Chemistry C

Pore-Engineered Metal–Organic Frameworks with Excellent Adsorption of Water and Fluorocarbon Refrigerant for Cooling Applications

(2017) Jian Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks

(2017) Jingjing Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural and Mechanistic Differences in Mixed-Linker Zeolitic Imidazolate Framework Synthesis by Solvent Assisted Linker Exchange and de Novo Routes

(2017) Krishna C. Jayachandrababu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the molecular mechanisms for the H2/CO2 separation performance of zeolite imidazolate framework two-layered membranes

(2017) Fernando Cacho-Bailo et al.   Chemical Science

Theoretical prediction of the mechanical properties of zeolitic imidazolate frameworks (ZIFs)

(2017) Bin Zheng et al.   RSC Advances

Molecular simulations of MOF membranes for separation of ethane/ethene and ethane/methane mixtures

(2017) Cigdem Altintas et al.   RSC Advances

Rapid microwave-assisted synthesis of hybrid zeolitic–imidazolate frameworks with mixed metals and mixed linkers

(2017) Febrian Hillman et al.   Journal of Materials Chemistry A

Tuning the separation properties of zeolitic imidazolate framework core–shell structures via post-synthetic modification

(2017) Javier Sánchez-Laínez et al.   Journal of Materials Chemistry A

The chemistry of metal–organic frameworks for CO2 capture, regeneration and conversion

(2017) Christopher A. Trickett et al.   Nature Reviews Materials

Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation Study

(2016) Krishna M. Gupta et al.   ACS Applied Materials & Interfaces

Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering

(2016) M. E. Casco et al.   CHEMICAL COMMUNICATIONS

Zinc-substituted ZIF-67 nanocrystals and polycrystalline membranes for propylene/propane separation

(2016) Chongqing Wang et al.   CHEMICAL COMMUNICATIONS

Gate opening effect for carbon dioxide in ZIF-8 by molecular dynamics – Confirmed, but at high CO 2 pressure

(2016) T. Chokbunpiam et al.   CHEMICAL PHYSICS LETTERS

ZIF-8 gate tuning via terminal group modification: A computational study

(2016) Bin Zheng et al.   CHEMICAL PHYSICS LETTERS

A comparison of the amorphization of zeolitic imidazolate frameworks (ZIFs) and aluminosilicate zeolites by ball-milling

(2016) Emma F. Baxter et al.   DALTON TRANSACTIONS

Potential of microporous metal–organic frameworks for separation of hydrocarbon mixtures

(2016) Zongbi Bao et al.   Energy & Environmental Science

ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular Simulations

(2016) Panagiotis Krokidas et al.   Journal of Physical Chemistry C

Diffusion of Aromatics in Silicalite-1: Experimental and Theoretical Evidence of Entropic Barriers

(2016) Panagiotis D. Kolokathis et al.   Journal of Physical Chemistry C

Structure Elucidation of Mixed-Linker Zeolitic Imidazolate Frameworks by Solid-State 1H CRAMPS NMR Spectroscopy and Computational Modeling

(2016) Krishna C. Jayachandrababu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Seven chemical separations to change the world

(2016) David S. Sholl et al.   NATURE

Beryllium in the environment: Whether fatal for plant growth?

(2016) Adnan Noor Shah et al.   REVIEWS IN ENVIRONMENTAL SCIENCE AND BIO-TECHNOLOGY

Beryllium in the environment: Whether fatal for plant growth?

(2016) Adnan Noor Shah et al.   REVIEWS IN ENVIRONMENTAL SCIENCE AND BIO-TECHNOLOGY

Tailoring the Transport Properties of Zeolitic Imidazolate Frameworks by Post-Synthetic Thermal Modification

(2015) Chen Zhang et al.   ACS Applied Materials & Interfaces

Metal–organic framework based mixed matrix membranes: a solution for highly efficient CO2 capture?

(2015) Beatriz Seoane et al.   CHEMICAL SOCIETY REVIEWS

Synthesis of magnesium ZIF-8 from Mg(BH4)2

(2015) S. Horike et al.   DALTON TRANSACTIONS

Mobility of the 2-Methylimidazolate Linkers in ZIF-8 Probed by 2H NMR: Saloon Doors for the Guests

(2015) Daniil I. Kolokolov et al.   Journal of Physical Chemistry C

Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF-8

(2015) Panagiotis Krokidas et al.   Journal of Physical Chemistry C

Zeolitic Imidazolate Framework-Enabled Membranes: Challenges and Opportunities

(2015) Chen Zhang et al.   Journal of Physical Chemistry Letters

Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances

(2015) Hyuk Taek Kwon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Tunable Molecular Sieving and Adsorption Properties of Mixed-Linker Zeolitic Imidazolate Frameworks

(2015) Kiwon Eum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 as Predicted Through Fully Flexible Molecular Simulations

(2015) Ross J. Verploegh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical model estimation of guest diffusion in metal–organic frameworks (MOFs)

(2015) B. Zheng et al.   RSC Advances

Metal-Substituted Zeolitic Imidazolate Framework ZIF-108: Gas-Sorption and Membrane-Separation Properties

(2014) Yujie Ban  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Zeolitic Imidazolate Frameworks: Next-Generation Materials for Energy-Efficient Gas Separations

(2014) Brian R. Pimentel et al.   ChemSusChem

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8

(2014) Marie V. Parkes et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Gas transport properties and propylene/propane separation characteristics of ZIF-8 membranes

(2013) Defei Liu et al.   JOURNAL OF MEMBRANE SCIENCE

Diffusive separation of propylene/propane with ZIF-8 membranes

(2013) Nobuo Hara et al.   JOURNAL OF MEMBRANE SCIENCE

Adsorption and Diffusion of Small Alcohols in Zeolitic Imidazolate Frameworks ZIF-8 and ZIF-90

(2013) Jason A. Gee et al.   Journal of Physical Chemistry C

The importance of lattice flexibility for the migration of ethane in ZIF-8: Molecular dynamics simulations

(2013) T. Chokbunpiam et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Mixed-linker zeolitic imidazolate framework mixed-matrix membranes for aggressive CO2 separation from natural gas

(2013) Joshua A. Thompson et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Dimensionality reduction of free energy profiles of benzene in silicalite-1: calculation of diffusion coefficients using transition state theory

(2013) Panagiotis D. Kolokathis et al.   MOLECULAR SIMULATION

Energy-efficient polymeric gas separation membranes for a sustainable future: A review

(2013) David F. Sanders et al.   POLYMER

Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH4and CO2in ZIF-8

(2012) Emmanuel Haldoupis et al.   CHEMPHYSCHEM

Effect of Functionalized Linker on CO2 Binding in Zeolitic Imidazolate Frameworks: Density Functional Theory Study

(2012) Yang Liu et al.   Journal of Physical Chemistry C

Unexpected Molecular Sieving Properties of Zeolitic Imidazolate Framework-8

(2012) Chen Zhang et al.   Journal of Physical Chemistry Letters

Diffusion in confinement: kinetic simulations of self- and collective diffusion behavior of adsorbed gases

(2012) Mahmoud K. F. Abouelnasr et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks

(2011) Jian-Rong Li et al.   COORDINATION CHEMISTRY REVIEWS

Force Field for Molecular Dynamics Computations in Flexible ZIF-8 Framework

(2011) Bin Zheng et al.   Journal of Physical Chemistry C

Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations

(2011) D. Fairen-Jimenez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ethene/ethane mixture diffusion in the MOF sieve ZIF-8 studied by MAS PFG NMR diffusometry

(2011) Christian Chmelik et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Ethene/ethane separation by the MOF membrane ZIF-8: Molecular correlation of permeation, adsorption, diffusion

(2010) Helge Bux et al.   JOURNAL OF MEMBRANE SCIENCE

Main-Group and Transition-Element IRMOF Homologues

(2010) Steffen Hausdorf et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cobalt Doping of the MOF-5 Framework and Its Effect on Gas-Adsorption Properties

(2010) Juan A. Botas et al.   LANGMUIR

Synthesis of Zeolitic Imidazolate Framework Films and Membranes with Controlled Microstructures

(2010) Michael C. McCarthy et al.   LANGMUIR

Multiple Functional Groups of Varying Ratios in Metal-Organic Frameworks

(2010) H. Deng et al.   SCIENCE

Direct Observation and Quantification of CO2Binding Within an Amine-Functionalized Nanoporous Solid

(2010) Ramanathan Vaidhyanathan et al.   SCIENCE

Cadmium Imidazolate Frameworks with Polymorphism, High Thermal Stability, and a Large Surface Area

(2009) Yun-Qi Tian et al.   CHEMISTRY-A EUROPEAN JOURNAL

Adsorption of CO2, CH4, and N2on Zeolitic Imidazolate Frameworks: Experiments and Simulations

(2009) Javier Pérez-Pellitero et al.   CHEMISTRY-A EUROPEAN JOURNAL

Adsorption Sites of Hydrogen in Zeolitic Imidazolate Frameworks

(2009) Min Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene

(2009) Kunhao Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

The upper bound revisited

(2008) Lloyd M. Robeson   JOURNAL OF MEMBRANE SCIENCE

High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO2Capture

(2008) Rahul Banerjee et al.   SCIENCE