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A solvent-responsive coordination cage

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Computational studies for the description of electronic and optical properties for photocatalysis in Metal Organic Frameworks

Andres Adolfo Ortega Guerrero

Metal-organic frameworks(MOFs) are promising materials for photocatalytic applications. MOFs modular and porosity structure provides a platform to assemble photo-active and catalytic-sites building block units that can offer unique photo-physics. This feat ...

EPFL2021

Multilevel screening of computation-ready, experimental metal-organic frameworks for natural gas purification

Yi Zhang, Berend Smit, Zhi Li

In this study, traditional Monte Carlo simulation and density functional theory-based structural optimization methods were combined to screen computation-ready experimental metal-organic framework (MOF) database for the application of natural gas purificat ...

WILEY2021

In situ nanoscale studies of copper-based catalysts for carbon dioxide electroreduction

Karla Banjac

The urgency of climate change demands the simultaneous removal of carbon dioxide from the atmosphere and the transition to renewable energy sources. This aim is realizable through electrochemical reduction of carbon dioxide (CO2RR), which is a promising ro ...

EPFL2021

Atomic Level Insights of Non-Noble Metal Catalysts for the Oxygen Evolution Reaction

Lichen Bai

The conversion of intermittent renewable energy resources in the form of chemical bond, such as hydrogen production from electrochemical water splitting, is a promising way to satisfy the future global energy demand and address the environmental issues. Th ...

EPFL2021

The design and synthesis of nanostructured hydrogen oxidation reaction electrocatalysts for hydroxide exchange membrane fuel cells

Weiyan Ni

Hydrogen fuel cell is a promising green technology that transforms the chemical energy in hydrogen into electricity. Currently, most of the efforts are focused on developing proton exchange membrane fuel cells (PEMFCs), however they are heavily dependent o ...

EPFL2021

Hybridization of Synthetic Humins with a Metal-Organic Framework for Precious Metal Recovery and Reuse

Wendy Lee Queen, Olga Trukhina, Claudia Esther Avalos, Till Marian Schertenleib, Jordi Espin Marti, Vikram Vinayak Karve

The number of synthetic strategies used to functionalize MOFs with polymers is rapidly growing; this stems from the knowledge that non-native polymeric guests can significantly boost MOF performance in a number of desirable applications. The current work p ...

AMER CHEMICAL SOC2021

Controllable CO adsorption determines ethylene and methane productions from CO2 electroreduction

Jun Li, Zhiwen Zhou

Among all CO2 electroreduction products, methane (CH4) and ethylene (C2H4) are two typical and valuable hydrocarbon products which are formed in two different pathways: hydrogenation and dimerization reactions of the same CO intermediate. Theoretical studi ...

ELSEVIER2021

Inorganic and Metal-Organic Heterogeneous Catalysts for Hydrogen Energy Applications

Fatma Pelin Uran

The main focus of this thesis is the exploration of inorganic and metal-organic heterogeneous catalysts for hydrogen (H2) energy applications. In particular, we investigated metal nanoparticles (NPs) and metal-organic frameworks (MOFs) for their employment ...

EPFL2021

Carbon dioxide activation and hydrogenation over copper-based catalysts studied by near-ambient pressure X-ray photoelectron spectroscopy

Mo Li

Carbon neutrality has been proposed as a commitment by the international communities for the well-being of human. To achieve carbon neutrality, one practical approach is to synthesize fuels and chemicals through CO2 hydrogenation to replace fossil fuels. C ...

EPFL2021

Copper-catalyzed transformations of carboradicals generated by electrochemical and photochemical methods: oxidative amination and polyfluoroarylation

Xiangli Yi

Organic radicals are highly active species that can undergo various transformations. Electrochemistry and photochemistry are efficient methods for the generation of these species of high energy, through single electron transfer processes under mild conditi ...

EPFL2021

Robust metal-organic frameworks for dry and wet biogas upgrading

Kyriakos Stylianou, Arunraj Chidambaram

Biofuels are considered as viable, sustainable and renewable alternatives to fossil fuels. One amongst them is biomethane which has emerged as one of the valuable contributors in facilitating the essential transition towards green energy sources. Industria ...

ELSEVIER2021

An Experimental Setup for Heterogeneous Catalysis on Atomically Defined Metal Nanostructures

Jean-Guillaume De Groot

The main objective of this PhD thesis is to link the atomic scale structure to the catalytic properties of self-assembled nanostructures. The growth and characterization of these nanostructures was carried out in an ultra-high vacuum (UHV) chamber initiall ...

EPFL2021

Enhancing MOF performance through the introduction of polymer guests

Wendy Lee Queen, Mehrdad Asgari, Shuliang Yang, Li Peng, Daniel Teav Sun, Olga Trukhina, Ilia Kochetygov, Vikram Vinayak Karve, Jordi Espin Marti, Anita Justin

In this contribution, recent advances in the construction of MOF-polymer composites and their corresponding applications are briefly reviewed. The appearance of such architectures is becoming prominent in recent literature, due to the fact that the union o ...

2020

Two-step immobilization of metronidazole prodrug on TEMPO cellulose nanofibrils through thiol-yne click chemistry for in situ controlled release

David Lyndon Emsley, Jasmine Viger-Gravel

Nowadays, drug encapsulation and drug release from cellulose nanofibrils systems are intense research topics, and commercial grades of cellulose nanomaterials are currently available. In this work we present an ester-containing prodrug of metronidazole tha ...

ELSEVIER SCI LTD2021