Publications associées à Precise Control of Intramolecular Charge-Transport: The Interplay of Distance and Conformational Effects

Publications associées (34)

Rapid prediction of phonon density of states by crystal attention graph neural network and high-throughput screening of candidate substrates for wide bandgap electronic cooling

Machine learning has demonstrated superior performance in predicting vast materials properties. However, predicting a spectral-like continuous material property such as phonon density of states (DOS) is more challenging for machine learning. In this work, ...

2025

Polydopamine-coated photoautotrophic bacteria for improving extracellular electron transfer in living photovoltaics

Ardemis Anoush Boghossian, Melania Reggente, Hanxuan Wang, Charlotte Elisabeth Marie Roullier, Mohammed Mouhib

Living photovoltaics are microbial electrochemical devices that use whole cell–electrode interactions to convert solar energy to electricity. The bottleneck in these technologies is the limited electron transfer between the microbe and the electrode surfac ...

2024

Green hydrogen production using Shewanella oneidensis MR-1 bioanode and cuprous oxide-based photocathode

Michele Morgante

In recent years, many efforts have been made to find alternative renewable energy sources that can ideally replace the use of fossil fuels in all aspects. One of the new emerging energy technologies is the bioelectrochemical system, of which two types are ...

EPFL2024

Membrane electrode assembly simulation of anion exchange membrane water electrolysis

Zoé Mury, Jan Van Herle, Suhas Nuggehalli Sampathkumar, Khaled Lawand

Anion exchange membrane water electrolysis (AEMWE) offers a green hydrogen production method that eliminates the need for platinum group metals (PGM) as electrocatalysts. This study employs a COMSOL (R) 6.0 model to simulate a 1x1 cm(2) Ni fibre - Raney (R ...

Elsevier2024

High-throughput parallel testing of ten photoelectrochemical cells for water splitting: case study on the effects of temperature in hematite photoanodes

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

High-throughput testing of photoelectrochemical cells and materials under well-defined operating conditions can accelerate the discovery of new semiconducting materials, the characterization of the phenomena occurring at the semiconductor-electrolyte inter ...

Royal Soc Chemistry2024

Electrochemical sensors modified with iron oxide nanoparticles/ nanocomposites for voltammetric detection of Pb (II) in water: A review

Sandro Carrara

Permissible limits of Pb 2+ in drinking water are being reduced from 10 mu gL -1 to 5 mu gL -1 , which calls for rapid, and highly reliable detection techniques. Electrochemical sensors have garnered attention in detection of heavy metal ions in environmen ...

Cell Press2024

Multielectron Redox Chemistry of Uranium by Accessing the plus II Oxidation State and Enabling Reduction to a U(I) Synthon

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Anne-Sophie Chauvin, Megan Renee Keener, Maxime Christian Gérard Tricoire

Thesynthesis of molecular uranium complexes in oxidation stateslower than +3 remains a challenge despite the interest for their multielectrontransfer reactivity and electronic structures. Herein, we report theone- and two-electron reduction of a U(III) com ...

2023

Engineering extracellular electron transfer for enhanced energy harvesting in microbial electrochemical devices

Mohammed Mouhib

Microorganisms known as exoelectrogens evolved the ability of transporting electrons across insulating biological membranes. In a physiological context, this enables respiration on extracellular electron acceptors and electron transfer to other organisms. ...

EPFL2023

A Route to Stabilize Uranium(II) and Uranium(I) Synthons in Multimetallic Complexes

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Megan Renee Keener, Dieuwertje Katelijn Modder, Keerthi Shivaraam Rangaraj Ananthakumar

Herein, we report the redox reactivity of a multimetallic uranium complex supported by triphenylsiloxide (−OSiPh3) ligands, where we show that low valent synthons can be stabilized via an unprecedented mechanism involving intramolecular ligand migration. T ...

Wiley-VCH Verlag GmbH2023

Origin of metallic-like behavior in disordered carbon nano-onions

Oleg Yazyev, Kristians Cernevics

Carbon nano-onions are a class of nanomaterials that can exhibit long electron spin relaxation times at room temperature and thus hold promise as potential building blocks for spintronics and quantum information processing devices. Despite first being synt ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Tungsten oxide-based photoanodes: biomass valorization and the effects of oxygen vacancies

Nukorn Plainpan

Tungsten oxide-based materials have unique and intriguing properties as photoanode materials for solar energy conversion. The first part of the thesis focuses on the use of WO3 photoanodes for the oxidation of 5-(hydroxymethyl)furfural (HMF). Chapter one l ...

EPFL2023

Insights into the microbial reduction of pentavalent and hexavalent uranium species by Shewanella oneidensis MR-1

Margaux Camille Andréa Molinas

Decades of uranium-related activities such as ore mining, nuclear power generation, weapon manufacture, storage of nuclear wastes, have contributed to the release of U in the environment. U occurrence is concerning, since in surface environments, U is typi ...

EPFL2021

Dopant Engineering for Spiro‐OMeTAD Hole‐Transporting Materials towards Efficient Perovskite Solar Cells

Michael Graetzel, Shaik Mohammed Zakeeruddin, Jovana Milic, Jiyoun Seo, Seckin Akin, Hui-Seon Kim, Marco Alejandro Ruiz Preciado

One of the most prominent hole-transporting material (HTM) for hybrid perovskite solar cells has been 2,2″,7,7″-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene (spiro-OMeTAD), which is commonly doped with metal bis(trifluoromethylsulfonyl)imide ...

2021

Broadband visible two-dimensional spectroscopy of molecular dyes

Majed Chergui, Andre Al Haddad, Rebecca Ann Ingle, Lars-Hendrik Mewes

Two-dimensional Fourier transform spectroscopy is a promising technique to study ultrafast molecular dynamics. Similar to transient absorption spectroscopy, a more complete picture of the dynamics requires broadband laser pulses to observe transient change ...

AMER INST PHYSICS2021

Stabilizing Unusual Oxidation States of Lanthanides in Molecular Complexes: Synthesis, Properties, and Reactivity

Aurélien René Willauer

The chemistry of divalent lanthanides has generated increasing interest in the past years due to their redox properties and unique reaction pathways. Notably, molecular complexes of low-valent lanthanides have been shown to be suitable one-electron reducta ...

EPFL2022

Efficient ab initio semiclassical dynamics for linear and nonlinear electronic spectroscopy

Tomislav Begusic

Molecular spectroscopy is an essential experimental technique in both fundamental physical sciences and applied research. For example, electronic spectroscopy, in which light induces a change in the electronic state of a molecule, is a powerful tool for st ...

EPFL2021

Optical properties and carrier dynamics in Co-doped ZnO nanorods

Anna Fontcuberta i Morral, Simon Robert Escobar Steinvall, Nicolas Tappy

The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic% in the growth solution. Optoele ...

ROYAL SOC CHEMISTRY2021

Visible-light driven water oxidation and oxygen production at soft interfaces

Hubert Girault, Astrid Johana Olaya Avendano, Jorge Gustavo Uranga, Julieta Soledad Riva

The visible light driven water oxidation reaction (WOR) by the organic electron acceptor 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-quinodimethane (TCNQF(4)) was studied at the water|butyronitrile interface. The WOR was performed at neutral pH, and without any ...

Royal Society of Chemistry2022

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Erik Saparbayev

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

EPFL2021