Understanding the role of linker flexibility in soft porous coordination polymers

Yamil J. Colón and Shuhei Furukawa

Mol. Syst. Des. Eng., 2020, 5, 284
DOI: 10.1039/C9ME00117D

Amplification of negative gas adsorption in a multivariate framework

Francesco Walenszus, Volodymyr Bon, Ankita De and Stefan Kaskel

Chem. Commun., 2024, 60, 7886
DOI: 10.1039/D4CC02540G

Cutting-edge molecular modelling to unveil new microscopic insights into the guest-controlled flexibility of metal–organic frameworks

Hengli Zhao, Camille Pelgrin-Morvan, Guillaume Maurin and Aziz Ghoufi

Chem. Sci., 2022, 13, 14336
DOI: 10.1039/D2SC04174J

Negative gas adsorption transitions and pressure amplification phenomena in porous frameworks

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, François-Xavier Coudert, Gulliaume Maurin, Eike Brunner, Philip L. Llewellyn and Stefan Kaskel

Chem. Soc. Rev., 2025, 54, 1251
DOI: 10.1039/D4CS00555D

Engineering micromechanics of soft porous crystals for negative gas adsorption

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Sebastian Ehrling, Paul Iacomi, Daniel M. Többens, Dirk Wallacher, Manfred S. Weiss, Bin Zheng, Pascal G. Yot, Guillaume Maurin, Philip L. Llewellyn, François-Xavier Coudert and Stefan Kaskel

Chem. Sci., 2020, 11, 9468
DOI: 10.1039/D0SC03727C

Design principles for the ultimate gas deliverable capacity material: nonporous to porous deformations without volume change

Matthew Witman, Sanliang Ling, Vitalie Stavila, Pavithra Wijeratne, Hiroyasu Furukawa and Mark D. Allendorf

Mol. Syst. Des. Eng., 2020, 5, 1491
DOI: 10.1039/D0ME00122H

The role of temperature and adsorbate on negative gas adsorption transitions of the mesoporous metal–organic framework DUT-49

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, François-Xavier Coudert, Daniel M. Többens, Dirk Wallacher, Nico Grimm and Stefan Kaskel

Faraday Discuss., 2021, 225, 168
DOI: 10.1039/D0FD00013B

Gating effect for gas adsorption in microporous materials—mechanisms and applications

Kaifei Chen, Seyed Hesam Mousavi, Ranjeet Singh, Randall Q. Snurr, Gang Li and Paul A. Webley

Chem. Soc. Rev., 2022, 51, 1139
DOI: 10.1039/D1CS00822F

On the role of history-dependent adsorbate distribution and metastable states in switchable mesoporous metal-organic frameworks

Francesco Walenszus, Volodymyr Bon, Jack D. Evans, Simon Krause, Jürgen Getzschmann, Stefan Kaskel and Muslim Dvoyashkin

Nat Commun, 2023, 14
DOI: 10.1038/s41467-023-38737-6

Towards general network architecture design criteria for negative gas adsorption transitions in ultraporous frameworks

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Paul Iacomi, Felicitas Kolbe, Sebastian Ehrling, Erik Troschke, Jürgen Getzschmann, Daniel M. Többens, Alexandra Franz, Dirk Wallacher, Pascal G. Yot, Guillaume Maurin, Eike Brunner, Philip L. Llewellyn, François-Xavier Coudert and Stefan Kaskel

Nat Commun, 2019, 10
DOI: 10.1038/s41467-019-11565-3

Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties

Simon Krause, Nobuhiko Hosono and Susumu Kitagawa

Angew Chem Int Ed, 2020, 59, 15325
DOI: 10.1002/anie.202004535

Methane storage in flexible and dynamical metal–organic frameworks

Katherine A. Forrest, Gaurav Verma, Yingxiang Ye, Junyu Ren, Shengqian Ma, Tony Pham and Brian Space

Chemical Physics Reviews, 2022, 3
DOI: 10.1063/5.0072805

Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal–Organic Framework

Ruben Goeminne, Simon Krause, Stefan Kaskel, Toon Verstraelen and Jack D. Evans

J. Am. Chem. Soc., 2021, 143, 4143
DOI: 10.1021/jacs.1c00522

Monitoring the Local Structure and Magnetic Properties of the Dinuclear Cu2-Paddle Wheel Nodes in the Mesoporous Metal–Organic Framework, DUT-49(Cu), upon Adsorption-Induced Breathing Transitions

Kavipriya Thangavel, Francesco Walenszus, Matthias Mendt, Volodymyr Bon, Stefan Kaskel and Andreas Pöppl

J. Phys. Chem. C, 2023, 127, 8217
DOI: 10.1021/acs.jpcc.2c08905

Theoretical isotherm equation for adsorption-induced structural transition on flexible metal–organic frameworks

Shotaro Hiraide, Yuta Sakanaka, Yuya Iida, Homare Arima, Minoru T. Miyahara and Satoshi Watanabe

Proc. Natl. Acad. Sci. U.S.A., 2023, 120
DOI: 10.1073/pnas.2305573120

Low Temperature Calorimetry Coupled with Molecular Simulations for an In-Depth Characterization of the Guest-Dependent Compliant Behavior of MOFs

Paul Iacomi, Bin Zheng, Simon Krause, Stefan Kaskel, Guillaume Maurin and Philip L. Llewellyn

Chem. Mater., 2020, 32, 3489
DOI: 10.1021/acs.chemmater.0c00417

Logic and symbolism of switchable porous framework materials

Leila Abylgazina, Irena Senkovska and Stefan Kaskel

Commun Mater, 2024, 5
DOI: 10.1038/s43246-024-00565-6

Challenges and Opportunities of Molecular Simulations for Negative Gas Adsorption

Jack D. Evans and François-Xavier Coudert

Acc. Mater. Res., 2024, 5, 640
DOI: 10.1021/accountsmr.4c00071

Temperature dependence of adsorption hysteresis in flexible metal organic frameworks

Shamsur Rahman, Arash Arami-Niya, Xiaoxian Yang, Gongkui Xiao, Gang Li and Eric F. May

Commun Chem, 2020, 3
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Simulating Enhanced Methane Deliverable Capacity of Guest Responsive Pores in Intrinsically Flexible MOFs

Matthew Witman, Bradley Wright and Berend Smit

J. Phys. Chem. Lett., 2019, 10, 5929
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Statistical Mechanical Model of Gas Adsorption in a Metal–Organic Framework Harboring a Rotaxane Molecular Shuttle

Jonathan Carney, David Roundy and Cory M. Simon

Langmuir, 2020, 36, 13112
DOI: 10.1021/acs.langmuir.0c02839

Cooperative light-induced breathing of soft porous crystals via azobenzene buckling

Simon Krause, Jack D. Evans, Volodymyr Bon, Stefano Crespi, Wojciech Danowski, Wesley R. Browne, Sebastian Ehrling, Francesco Walenszus, Dirk Wallacher, Nico Grimm, Daniel M. Többens, Manfred S. Weiss, Stefan Kaskel and Ben L. Feringa

Nat Commun, 2022, 13
DOI: 10.1038/s41467-022-29149-z

Utilizing adsorption of wood and its derivatives as an emerging strategy for the treatment of heavy metal-contaminated wastewater

Jinxuan Jiang, Yang Shi, Nyuk Ling Ma, Haoran Ye, Meenakshi Verma, Hui Suan Ng and Shengbo Ge

Environmental Pollution, 2024, 340, 122830
DOI: 10.1016/j.envpol.2023.122830

Structural Transitions of the Metal–Organic Framework DUT-49(Cu) upon Physi- and Chemisorption Studied by in Situ Electron Paramagnetic Resonance Spectroscopy

Daniil M. Polyukhov, Simon Krause, Volodymyr Bon, Artem S. Poryvaev, Stefan Kaskel and Matvey V. Fedin

J. Phys. Chem. Lett., 2020, 11, 5856
DOI: 10.1021/acs.jpclett.0c01705

Four-dimensional metal-organic frameworks

Jack D. Evans, Volodymyr Bon, Irena Senkovska, Hui-Chun Lee and Stefan Kaskel

Nat Commun, 2020, 11
DOI: 10.1038/s41467-020-16527-8

A Poromechanical Model for Sorption Hysteresis in Nanoporous Polymers

Mingyang Chen, Benoit Coasne, Robert Guyer, Dominique Derome and Jan Carmeliet