Publications by Christopher Patrick Ireland

Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks

Emad Oveisi, Berend Smit, Wendy Lee Queen, Christopher Patrick Ireland, Pascal Alexander Schouwink, Fatma Pelin Uran, Elias Moubarak, Andres Adolfo Ortega Guerrero, Miriam Jasmin Pougin, Jordi Espin Marti, Yutao Li

Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among t ...

NATURE PORTFOLIO2025

Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology

Berend Smit, Wendy Lee Queen, Christopher Patrick Ireland, Fatma Pelin Uran, Andres Adolfo Ortega Guerrero, Miriam Jasmin Pougin, Jordi Espin Marti

Pore topology and chemistry play crucial roles in the adsorption characteristics of metal-organic frameworks (MOFs). To deepen our understanding of the interactions between MOFs and CO2 during this process, we systematically investigate the adsorption prop ...

2024

Highly selective CO2 photoreduction to CO on MOF-derived TiO2

Berend Smit, Christopher Patrick Ireland, Stavroula Kampouri

Metal-Organic Framework (MOF)-derived TiO2, synthesised through the calcination of MIL-125-NH2, is investigated for its potential as a CO2 photoreduction catalyst. The effect of the reaction parameters: irradiance, temperature and partial pressure of water ...

ROYAL SOC CHEMISTRY2023

Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO2 Capture

Berend Smit, Christopher Patrick Ireland, Kevin Maik Jablonka, Susana Garcia Lopez

Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as adsorbents for CO2 capture of industrial plant emissions. To aid in the design and optimization of these materials for CO2 capture at ...

AMER CHEMICAL SOC2022

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF

Fatmah Ebrahim, Seyedmohamad Moosavi, Berend Smit, Christopher Patrick Ireland, Christoph Leopold Talirz, Kevin Maik Jablonka

The synthesis of metal-organic frameworks (MOFs) is often complex and the desired structure is not always obtained. In this work, we report a methodology that uses a joint machine learning and experimental approach to optimize the synthesis conditions of A ...

NATURE PORTFOLIO2022

Enhanced Visible-Light-Driven Hydrogen Production through MOF/MOF Heterojunctions

Fatmah Ebrahim, Berend Smit, Kyriakos Stylianou, Christopher Patrick Ireland, Stavroula Kampouri, Pascal Alexander Schouwink, Maria Fumanal Quintana

A strategy for enhancing the photocatalytic performance of MOF- based systems (MOF: metal-organic framework) is developed through the construction of MOF/MOF heterojunctions. The combination of MIL-167 with MIL-125-NH2 leads to the formation of MIL-167/MIL ...

2021

A data-driven perspective on the colours of metal-organic frameworks

Luc Patiny, Seyedmohamad Moosavi, Berend Smit, Mehrdad Asgari, Christopher Patrick Ireland, Kevin Maik Jablonka

Colour is at the core of chemistry and has been fascinating humans since ancient times. It is also a key descriptor of optoelectronic properties of materials and is often used to assess the success of a synthesis. However, predicting the colour of a materi ...

2021

Color-tunable emitter material

Fatmah Ebrahim, Berend Smit, Christopher Patrick Ireland

The invention is directed to a color-tunable emitter material comprising a crystal containing complexes of luminescent biomolecule-based ligands and metal ions and to a method for preparing the color-tunable emitter material. Furthermore, the invention rel ...

2021

Pyrene-based metal organic frameworks: from synthesis to applications

Berend Smit, Daniele Ongari, Christopher Patrick Ireland, Fatma Pelin Uran, Andres Adolfo Ortega Guerrero

Pyrene is one of the most widely investigated aromatic hydrocarbons given to its unique optical and electronic properties. Hence, pyrene-based ligands have been attractive for the synthesis of metal–organic frameworks (MOFs) in the last few years. In this ...

Royal Society of Chemistry2021

Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks

Berend Smit, Mehrdad Asgari, Christopher Patrick Ireland, Fatma Pelin Uran, Andres Adolfo Ortega Guerrero, Özge Kadioglu

Metal-organic frameworks (MOFs) are promising materials for the photocatalytic H-2 evolution reaction (HER) from water. To find the optimal MOF for a photocatalytic HER, one has to consider many different factors. For example, studies have emphasized the i ...

AMER CHEMICAL SOC2021

Sustainable Hydrogenation of Nitroarenes to Anilines with Highly Active in-situ Generated Copper Nanoparticles

Mounir Driss Mensi, Berend Smit, Kyriakos Stylianou, Christopher Patrick Ireland, Ngoc Tú Nguyên, Fatma Pelin Uran

Metal nanoparticles (NPs) are usually stabilized by a capping agent, a surfactant, or a support material, to maintain their integrity. However, these strategies can impact their intrinsic catalytic activity. Here, we demonstrate that the in-situ formation ...

Wiley-VCH Verlag2020

Taking lanthanides out of isolation: tuning the optical properties of metal-organic frameworks

Kevin Sivula, Gloria Capano, Muhammad Aiman Bin Rahmanudin Hamdan, Nestor Guijarro Carratala, Berend Smit, Samantha Lynn Anderson, Kyriakos Stylianou, Davide Tiana, Andrzej Gladysiak, Christopher Patrick Ireland, Stavroula Kampouri, Maria Fumanal Quintana

Metal organic frameworks (MOFs) are increasingly used in applications that rely on the optical and electronic properties of these materials. These applications require a fundamental understanding on how the structure of these materials, and in particular t ...

2020

Degradation of plastic materials into terephthalic acid (tpa), ethylene glycol and/or other monomers that form the plastic materials

Berend Smit, Samantha Lynn Anderson, Kyriakos Stylianou, Christopher Patrick Ireland

The invention relates to a method for degradation of plastic materials into terephthalic acid (TPA)and/or ethylene glycol and/or other monomers that form the plastic materials. ...

2020

Photocatalytic system comprising a titanium-based mof

Berend Smit, Kyriakos Stylianou, Christopher Patrick Ireland, Stavroula Kampouri, Ngoc Tú Nguyên

The present invention concerns a photocatalytic system comprising or consisting of: a titanium-based metal-organic framework MOF based on or including a single ligand type or a plurality of different ligand types for generating photo-generated charge carri ...

2019

Metal Substitution as the Method of Modifying Electronic Structure of Metal–Organic Frameworks

Fatmah Ebrahim, Berend Smit, Christopher Patrick Ireland, Olga Syzgantseva

Targeted modification of electronic structure is an important step in the optimization of metal–organic frameworks (MOFs) for photovoltaic, sensing, and photocatalytic applications. The key parameters to be controlled include the band gap, the absolute ene ...

2019

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture

Seyedmohamad Moosavi, Berend Smit, Kyriakos Stylianou, Peter George Boyd, Andrzej Gladysiak, Christopher Patrick Ireland, Arunraj Chidambaram, Pascal Alexander Schouwink, Enrique Garcia Diez, Susana Garcia Lopez

Limiting the increase of CO2 in the atmosphere is one of the largest challenges of our generation(1). Because carbon capture and storage is one of the few viable technologies that can mitigate current CO2 emissions(2), much effort is focused on developing ...

2019

Photocatalytic hydrogen generation from a visible-light responsive metal–organic framework system: the impact of nickel phosphide nanoparticles

László Forró, Andrzej Sienkiewicz, Kevin Sivula, Gloria Capano, Fatmah Ebrahim, Nestor Guijarro Carratala, Berend Smit, Kyriakos Stylianou, Daniele Ongari, Christopher Patrick Ireland, Bardiya Valizadeh, Stavroula Kampouri, Amber Kashan Mace, Ngoc Tú Nguyên

Royal Society of Chemistry2018

Mixed-phase MOF-derived Titanium Dioxide for Photocatalytic Hydrogen Evolution: The Impact of the Templated Morphology

Mounir Driss Mensi, Emad Oveisi, Kyriakos Stylianou, Christopher Patrick Ireland, Bardiya Valizadeh, Stavroula Kampouri, Pascal Alexander Schouwink

2018

Formation pathways of metal–organic frameworks proceeding through partial dissolution of the metastable phase

Pascal Miéville, Berend Smit, Samantha Lynn Anderson, Kyriakos Stylianou, Davide Tiana, Peter George Boyd, Andrzej Gladysiak, Christopher Patrick Ireland, Pascal Alexander Schouwink

2017