Tracking CO2 capture and separation over N2 in a flexible metal–organic framework: insights from GCMC and DFT simulations

A Study on Switching in Metal-Organic Frameworks

(2019) Fahime Bigdeli et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Strain-controlled carbon nitride: A continuously tunable membrane for gas separation

(2019) Maohuai Wang et al.   APPLIED SURFACE SCIENCE

Penta-graphene as a promising controllable CO2 capture and separation material in an electric field

(2019) Maohuai Wang et al.   APPLIED SURFACE SCIENCE

Selective carbon dioxide sorption by a new breathing three-dimensional Zn-MOF with Lewis basic nitrogen-rich channels

(2018) Hyun-Chul Kim et al.   DALTON TRANSACTIONS

Theoretical Model and Numerical Simulation of Adsorption and Deformation in Flexible Metal–Organic Frameworks

(2018) Sahar Bakhshian et al.   Journal of Physical Chemistry C

Alkyl amine functionalized triphenylamine-based covalent organic frameworks for high-efficiency CO 2 capture and separation over N 2

(2018) Maohuai Wang et al.   MATERIALS LETTERS

Li-modified nanoporous carbons for high-performance adsorption and separation of CO 2 over N 2 : A combined DFT and GCMC computational study

(2018) Xuefeng Liu et al.   Journal of CO2 Utilization

Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer

(2018) Jia-Jia Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials

(2017) Daniele Ongari et al.   LANGMUIR

Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars

(2016) Aparna Banerjee et al.   CHEMICAL COMMUNICATIONS

Interpenetrated Zirconium–Organic Frameworks: Small Cavities versus Functionalization for CO2 Capture

(2016) Ravichandar Babarao et al.   Journal of Physical Chemistry C

A pressure-amplifying framework material with negative gas adsorption transitions

(2016) Simon Krause et al.   NATURE

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Competitive adsorption of a binary CO2–CH4 mixture in nanoporous carbons: effects of edge-functionalization

(2015) Xiaoqing Lu et al.   Nanoscale

Strategies to enhance CO2 capture and separation based on engineering absorbent materials

(2015) Xiaoqing Lu et al.   Journal of Materials Chemistry A

Construction and Characterization of Structure Models of Crystalline Porous Polymers

(2014) Richard Luis Martin et al.   CRYSTAL GROWTH & DESIGN

An overview of current status of carbon dioxide capture and storage technologies

(2014) Dennis Y.C. Leung et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

A Review on Breathing Behaviors of Metal-Organic-Frameworks (MOFs) for Gas Adsorption

(2014) Mays Alhamami et al.   Materials

Modulation of breathing behavior of layered coordination polymers via a solid solution approach: the influence of metal ions on sorption behavior

(2013) Gargi Mukherjee et al.   CHEMICAL COMMUNICATIONS

Carbon capture and storage update

(2013) Matthew E. Boot-Handford et al.   Energy & Environmental Science

Molecular Simulation Studies of CO2 Adsorption by Carbon Model Compounds for Carbon Capture and Sequestration Applications

(2012) Yangyang Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Li-modified metal–organic frameworks for CO2/CH4separation: a route to achieving high adsorption selectivity

(2009) Qing Xu et al.   JOURNAL OF MATERIALS CHEMISTRY

Stress-Based Model for the Breathing of Metal−Organic Frameworks

(2009) Alexander V. Neimark et al.   Journal of Physical Chemistry Letters

Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption

(2008) Fabrice Salles et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks

(2008) François-Xavier Coudert et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY