Publications by Christopher Patrick Ireland

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

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

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, Jordi Espin Marti, Miriam Jasmin Pougin, Christopher Patrick Ireland, Andres Adolfo Ortega Guerrero, Fatma Pelin Uran

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

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

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

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

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

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

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

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

Berend Smit, Fatmah Ebrahim, 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, Andres Adolfo Ortega Guerrero, Fatma Pelin Uran

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, Andres Adolfo Ortega Guerrero, Fatma Pelin Uran, 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