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Chemical Engineering of Photoactivity in Heterometallic Titanium–Organic Frameworks by Metal Doping

Angewandte Chemie International Edition, 2018-07, Vol.57 (28), p.8453-8457

International ed. in English, 2018

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Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series

Nature communications, 2017-02, Vol.8 (1), p.14457-10, Article 14457

2017

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Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

Angewandte Chemie (International ed.), 2016-12, Vol.55 (52), p.16012-16016

International ed. in English, 2016

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The Si–Ge substitutional series in the chiral STW zeolite structure type

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (31), p.15110-15122

2018

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Zeolitic Polyoxometalate-Based Metal−Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1

Journal of the American Chemical Society, 2009-11, Vol.131 (44), p.16078-16087

2009

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Step-wise dealumination of natural clinoptilolite: Structural and physicochemical characterization

Microporous and mesoporous materials, 2010-11, Vol.135 (1), p.187-196

2010

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Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (26), p.1847-1855

2018

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Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

Chemistry : a European journal, 2016-07, Vol.22 (29), p.10036-10043

2016

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Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (23), p.11894-11904

2017

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A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite

Microporous and mesoporous materials, 2020-03, Vol.294, p.109885, Article 109885

2020

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

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (48), p.25601-25608

2017

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Mg/Ca Partitioning Between Aqueous Solution and Aragonite Mineral: A Molecular Dynamics Study

Chemistry : a European journal, 2012-08, Vol.18 (32), p.9828-9833

2012

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Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts

Dalton transactions : an international journal of inorganic chemistry, 2016-01, Vol.45 (1), p.216-225

2016

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Interplay of water, extra-framework cations and framework atoms in the structure of low-silica zeolites : the case of the natural zeolite Goosecreekite as studied by computer simulation

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (4), p.521-532

2007

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ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids

Dalton transactions : an international journal of inorganic chemistry, 2012-09, Vol.41 (33), p.9989-9999

2012

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Aluminium distribution in ZSM-5 revisited: The role of Al–Al interactions

Journal of solid state chemistry, 2013-02, Vol.198, p.330-336

2013

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Frontispiece: Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

Angewandte Chemie (International ed.), 2016-12, Vol.55 (52), p.n/a

International ed. in English, 2016

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Thermostructural behaviour of Ni-Cr materials: modelling of bulk and nanoparticle systems

Physical chemistry chemical physics : PCCP, 2015-06, Vol.17 (24), p.15912-15920

2015

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Location of extra-framework Co2+, Ni2+, Cu2+ and Zn2+ cations in natural and dealuminated clinoptilolite

Microporous and mesoporous materials, 2012-06, Vol.155, p.233-239

2012

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Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and ε-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach

Physical chemistry chemical physics : PCCP, 2010-08, Vol.12 (30), p.8632-8639

2010

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Thermochemistry of strontium incorporation in aragonite from atomistic simulations

Geochimica et cosmochimica acta, 2010-02, Vol.74 (4), p.1320-1328

2010

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Unravelling the key factors in the chlorine-promoted epoxidation of ethylene over a silver-copper oxide nanocatalyst

Nanoscale, 2022-05, Vol.14 (19), p.7332-734

2022

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Structural Features and Zeolite Stability: A Linearized Equation Approach

Crystal growth & design, 2024-02, Vol.24 (3), p.938-946

2024

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Controlling Thermal Expansion: A Metal–Organic Frameworks Route

Chemistry of materials, 2016-11, Vol.28 (22), p.8296-8304

2016

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Electronic structure of porphyrin-based metal–organic frameworks and their suitability for solar fuel production photocatalysis

Journal of materials chemistry. A, Materials for energy and sustainability, 2015-01, Vol.3 (46), p.23458-23465

2015

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Chemical Engineering of Photoactivity in Heterometallic Titanium–Organic Frameworks by Metal Doping

Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series

Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

The Si–Ge substitutional series in the chiral STW zeolite structure type

Zeolitic Polyoxometalate-Based Metal−Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1

Step-wise dealumination of natural clinoptilolite: Structural and physicochemical characterization

Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9

Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions

A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite

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

Mg/Ca Partitioning Between Aqueous Solution and Aragonite Mineral: A Molecular Dynamics Study

Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts

Interplay of water, extra-framework cations and framework atoms in the structure of low-silica zeolites : the case of the natural zeolite Goosecreekite as studied by computer simulation

ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids

Aluminium distribution in ZSM-5 revisited: The role of Al–Al interactions

Frontispiece: Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

Thermostructural behaviour of Ni-Cr materials: modelling of bulk and nanoparticle systems

Location of extra-framework Co2+, Ni2+, Cu2+ and Zn2+ cations in natural and dealuminated clinoptilolite

Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and ε-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach

Thermochemistry of strontium incorporation in aragonite from atomistic simulations

Unravelling the key factors in the chlorine-promoted epoxidation of ethylene over a silver-copper oxide nanocatalyst

Structural Features and Zeolite Stability: A Linearized Equation Approach

Controlling Thermal Expansion: A Metal–Organic Frameworks Route

Electronic structure of porphyrin-based metal–organic frameworks and their suitability for solar fuel production photocatalysis

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