Publications related to Functional hole transport materials for optoelectronic and/or electrochemical devices

Multiphysics model for assessing photoelectrochemical phenomena under concentrated irradiation

Sophia Haussener, Isaac Thomas Holmes-Gentle, Franky Esteban Bedoya Lora

A multiphysics model was developed for a photoelectrochemical (PEC) cell at the device level to simulate water splitting operating under concentrated irradiation (between 50 to 600 kW m−2). The 2D model couples charge, heat, mass, photon, and momentum tran ...

2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet-triplet gap violates Hund's rule and currently there are only a few molecules which are ...

ROYAL SOC CHEMISTRY2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet-triplet gap violates Hund's rule and currently there are only a few molecules which are ...

ROYAL SOC CHEMISTRY2023

Ozonation of organic compounds in water and wastewater: A critical review

Urs von Gunten, Sung Eun Lim

Ozonation has been applied in water treatment for more than a century, first for disinfection, later for oxidation of inorganic and organic pollutants. In recent years, ozone has been increasingly applied for enhanced municipal wastewater treatment for eco ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Identification of Isomeric Lipids by UV Spectroscopy of Noncovalent Complexes with Aromatic Molecules

Oleg Boyarkine, Ruslan Yamaletdinov

The tremendous structural and isomeric diversity of lipids enables a wide range of their functions in nature but makes the identification of these biomolecules challenging. We distinguish and quantify isomeric lipids using cold ion UV fragmentation spectro ...

AMER CHEMICAL SOC2021

Diformylxylose as a new polar aprotic solvent produced from renewable biomass

Jeremy Luterbacher, Graham Reid Dick, Anastasiia Komarova

Lignin is a promising candidate for the replacement of fossil-based materials, due to its natural abundance and aromatic structure. This same structure poses major challenges to lignin's exploitation for material development. The harsh conditions generally ...

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

Universal Strategy of Bimetal Heterostructures as Superior Bifunctional Catalysts for Electrochemical Water Splitting

Pengzuo Chen, Yun Tong

Utilizing earth-abundant metals to design economical and efficient electrocatalysts for cathodic hydrogen evolution reaction (HER) and anodic oxygen evolution reaction (OER) is critical for acquiring clean hydrogen energy by the electrochemical overall wat ...

AMER CHEMICAL SOC2021

Even-odd conductance effect in graphene nanoribbons induced by edge functionalization with aromatic molecules: basis for novel chemosensors

Oleg Yazyev, Michele Pizzochero, Kristians Cernevics

We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized withp-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations indicate that, depe ...

2020

Azide Radical Initiated Ring Opening of Cyclopropenes Leading to Alkenyl Nitriles and Polycyclic Aromatic Compounds

Jérôme Waser, Bastian Antoine Rodolphe Claude Muriel

We report herein a radical‐mediated amination of cyclopropenes. The transformation proceeds through a cleavage of the three‐membered ring after the addition of an azide radical on the strained double bond and leads to tetrasubstituted alkenyl nitrile deriv ...

Wiley-VCH Verlag GmbH2020

Catalyst design for C-O bond hydrogenolysis of renewable materials

Antoine Philippe Van Muyden

Anthropogenic carbon dioxide emissions leading to climate change require to use of renewable carbon sources such as CO2 and biomass which differ from fossil resources by having a higher number of oxygen atoms. Therefore, catalytic C-O bond cleavage will pl ...

EPFL2020

Valorization of biomass derivatives through the conversion of phenol over silica-supported Mo-Re oxide catalysts

Ricardo Javier Serpell Carriquiry

Liquid-phase hydrodeoxygenation of phenol over silica-supported MoOx-ReOx catalysts was investigated at 300 degrees C and 5 MPa of H-2. Mixed-oxides catalysts with similar surface metal density (2.3 atoms of metal per nm(2) of SiO2) but different relative ...

2020

Computational Modeling of the Oxygen Evolution Reaction at Semiconductor-Water Interfaces: A Path Towards Breaking Linear Scaling Relationships

Patrick Gono

Photoelectrochemical water splitting is a promising source of clean, renewable fuel in the form of hydrogen. Despite extensive research endeavors, the widespread adoption of this technology is impeded due to suboptimal catalysts for the oxygen evolution re ...

EPFL2020

Spin-dependent charge transfer at chiral electrodes probed by magnetic resonance

Jean-Philippe Ansermet, Christophe Roussel, Felix Blumenschein, Mika Antero Tamski

Chirality-induced spin selectivity is evidenced by exciting the spin resonance of radicals in an electrochemical cell where the working electrode is covered with a chiral self-assembled monolayer. Because the electron transfer to and from the paramagnetic ...

ROYAL SOC CHEMISTRY2020

Preventing Lignin Condensation to Facilitate Aromatic Monomer Production

Jeremy Luterbacher, Wu Lan

Lignin is the most abundant aromatic polymer in nature and as such is an attractive source of aromatic molecules. Efficient lignin utilization will also likely play a key role in the economic success and sustainability of biomass valorization schemes. Howe ...

2019

Production and characterization of stabilized lignin

Masoud Talebi Amiri

Lignocellulosic biomass is a sustainable source of renewable carbon, and it is the most abundant form of terrestrial biomass. The three main constituents of lignocellulosic biomass are cellulose, hemicellulose, and lignin. The monomers from these biopolyme ...

EPFL2019

Potential-sensing electrochemical atomic force microscopy for in operando analysis of water-splitting catalysts and interfaces

Kevin Sivula

Heterogeneous electrochemical phenomena, such as (photo)electrochemical water splitting to generate hydrogen using semiconductors and/or electrocatalysts, are driven by the accumulated charge carriers and thus the interfacial electrochemical potential grad ...

2018

Developing Reactions of Strained Rings : Enantioselective Desymmetrization of meso-Diaminocyclopropanes and Annulation of Donor-Acceptor Aminocyclobutanes

Daniele Perrotta

Carbo- and heterocyclic structures containing nitrogen-substituted stereocenters are recurrent structural motifs in natural and bioactive compounds, therefore constituting a privileged class of synthetic targets. In this regard, substituted three- and four ...

EPFL2018

Room temperature C(sp(2))-H oxidative chlorination via photoredox catalysis

Xile Hu, Lei Zhang

Photoredox catalysis has been developed to achieve oxidative C-H chlorination of aromatic compounds using NaCl as the chlorine source and Na2S2O8 as the oxidant. The reactions occur at room temperature and exhibit exclusive selectivity for C(sp(2))-H bonds ...

Royal Soc Chemistry2017

Combined Experimental-Numerical Analysis of Transient Phenomena in a Photoelectrochemical Water Splitting Cell

Sophia Haussener, Mikaël Dumortier

A combined experimental-numerical approach was used to study transient phenomena occurring in a photoelectrochemical cell using a membrane-separated porous TiO2-based photoanode and a dark Pt-based cathode. The effects of three parameters (pH in the anodic ...

American Chemical Society2016