Publication
Data-driven design of metal-organic frameworks for wet flue gas CO2 capture
Related publications (101)
CO2 Capture and Management Strategies for Decarbonizing Secondary Aluminium Production
François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos, Réginald Germanier
The production of aluminium largely depends on the use of fossil fuels, resulting in the emission of significant amounts of greenhouse gases. As the aluminium industry is working towards decreasing its environmental burdens, the elimination of direct emiss ...
2024Tailoring nanocatalysts and reaction interfaces for water- and CO2-electrolysis
Renewable energy sources offer a promising solution for mitigating sustainability and CO2 emissions-related issues due to their vast energy generation capacity. They enable hydrogen production via water electrolysis, as well as carbon capture and utilizati ...
EPFL2024Deep learning-based recommendation system for metal-organic frameworks (MOFs)
Berend Smit, Xiaoqi Zhang, Kevin Maik Jablonka
This work presents a recommendation system for metal-organic frameworks (MOFs) inspired by online content platforms. By leveraging the unsupervised Doc2Vec model trained on document-structured intrinsic MOF characteristics, the model embeds MOFs into a hig ...
Royal Soc Chemistry2024Harnessing Porous Materials for Efficient Gas Capture: A Computational Exploration of Structure, Function, and Workflow Automation
Industrial chemistry heavily relies on traditional separation methods which are both energy-demanding and environmentally detrimental. This thesis addresses critical separation challenges, specifically carbon capture applications and the separation of ethy ...
EPFL2024Graphene membranes with pyridinic nitrogen at pore edges for high-performance CO2 capture
Kumar Varoon Agrawal, Kuang-Jung Hsu, Marina Micari, Xuekui Duan, Shuqing Song, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Shaoxian Li, Heng-Yu Chi, Liping Zhong
Membranes based on a porous two-dimensional selective layer offer the potential to achieve exceptional performance to improve energy efficiency and reduce the cost for carbon capture. So far, separation from two-dimensional pores has exploited differences ...
Nature Portfolio2024Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning
Berend Smit, Xiaoqi Zhang, Sauradeep Majumdar, Hyunsoo Park
The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the e ...
Royal Soc Chemistry2024AIDRES: A database for the decarbonisation of the heavy industry in Europe
François Maréchal, Luc Girardin, Daniel Alexander Florez Orrego, Ivan Daniel Kantor, Shivom Sharma, Meire Ellen Gorete Ribeiro Domingos, Rafael Amorim Leandro De Castro Amoedo, Julia Granacher, Yi Zhao
The AIDRES database aims to support the long-term objective of a fully integrated industrial strategy in the EU 27, providing a service to the European Commission and a catalogue for industries to understand the effectiveness, efficiency and cost of potent ...
Universidad de Las Palmas de Gran Canaria2023How to Decarbonize Our Energy Systems: Process-Informed Design of New Materials for Carbon Capture
Berend Smit, Susana Garcia Lopez
Decarbonisation from a variety of industrial and power emission sectors highlights a marked need for capture technologies that can be optimized for different CO2 sources and integrated into an equally diverse range of applications of captured CO2 as a feed ...
WILEY-V C H VERLAG GMBH2023Integrating CO2 mineralization in industrial clusters: the benefits of material and heat integration
François Maréchal, Rafael Amorim Leandro De Castro Amoedo, Julia Granacher, Mouhannad Abou Daher
Curbing and capturing CO2 emissions is no longer enough to cope with the demanding environmental challenges of the coming years. Long-term storage technologies need deployment, to help industrial sectors to reach ambitious emission standards. Mineral carbo ...
2023Autocatalysis and CO2: Carbon Capture and Utilization (CCU) Meets Natural Processes
Paul Joseph Dyson, Jorge Gustavo Uranga, Martin Hulla, Gabriela Gastelu
Autocatalytic reactions were proposed to play a key role at the beginning of life starting from the first reduction of CO2 to formate, acetate and C-1-C-4 hydrocarbons. In carbon capture and utilization (CCU) processes, the same reactions were demonstrated ...
Weinheim2023