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Related publications (31)

Global spatial analysis of toxic emissions to freshwater: operationalization for LCA

Anna Kounina Massé

PurposeThere is increasing interest in using fate and exposure models to spatially differentiate the impacts of chemical emissions. This work aims at exploring the operationalization in life cycle assessment (LCA) of spatially differentiated models for tox ...

SPRINGER HEIDELBERG2019

Solar-Electrochemical Devices for Water Splitting and Chlorine Generation

Enrico Chinello

Solar technologies hold the potential to ultimately counteract the effects of climate change. Nevertheless, the intermittency of sunlight poses technical challenges regarding the storage of the surplus production and the supply of the deficit. The generat ...

EPFL2019

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo

We present a procedure for addressing extrinsic defects in amorphous oxides, in which the most stable defect configurations are identified through ab initio molecular dynamics in various charge states and studied through hybrid functional calculations. The ...

American Physical Society (APS)2019

Impact of cation redox chemistry on continuous hydrothermal synthesis of 2D-Ni(Co/Fe) hydroxides

Andreas Stephan Lesch, Massimo Rosa

Continuous hydrothermal flow synthesis (CHFS) is a facile, upscalable and cost-efficient synthetic method enabling the nanostructuring of advanced functional materials in steady conditions, i.e. not in batch synthesis. In this paper, we use CHFS to crystal ...

ROYAL SOC CHEMISTRY2019

Oxide versus Nonoxide Cathode Materials for Aqueous Zn Batteries: An Insight into the Charge Storage Mechanism and Consequences Thereof

Alfredo Pasquarello, Assil Bouzid

Aqueous Zn-ion batteries, which are being proposed as large-scale energy storage solutions because of their unparalleled safety and cost advantage, are composed of a positive host (cathode) material, a metallic zinc anode, and a mildly acidic aqueous elect ...

2019

Characterisation and hydration of ye'elimite containing cements

Frank Bullerjahn

Calcium sulphoaluminate cements (CSA) with the main phase yeâ elimite are a promising class of non-Portland cements which are gaining increasing interest from the cement industry. However, the hydration kinetics of CSA cements varies strongly, even for ce ...

EPFL2018

Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

Michele Ceriotti

Nuclear quantum effects (NQEs) cause the nuclei of light elements like hydrogen to delocalize, affecting numerous properties of water and aqueous solutions, such as hydrogen-bonding and proton transfer barriers. Here, we address the prototypical case of aq ...

2018

Features of proteolytic properties of tetraphenylporphyrin complex with lanthanide group metals

Demetallation of metalloporphyrin molecules is one of the essential degradation reactions in photosynthesis. The effect of metalloporphyrin nature on removal of central metals from tetraphenylporphyrin complexes based on lanthanide group metals (Dy, Er, Lu ...

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

Dealloying-directed synthesis of efficient mesoporous CoFe-based catalysts towards the oxygen evolution reaction and overall water splitting

Jie Zhang, Chaoqun Dong, Yiping Wang, Zheyu Zhang

It is a great challenge to design highly active, stable and low-cost catalysts for electrochemically splitting water to realize the clean energy generation and renewable energy storage. Herein, a facile one-step dealloying strategy was proposed to synthesi ...

Royal Soc Chemistry2017

Evaluating Charge Carrier Transport and Surface States in CuFeO

Kevin Sivula, Florian Le Formal, Nestor Guijarro Carratala, Xavier Adrian Jeanbourquin, Mathieu Steven Prévot, Wiktor Stefan Bourée

Interest in delafossite (CuFeO2) as a candidate p-type photocathode for photoelectrochemical (PEC) solar fuel production has recently been increasing, mainly due to its excellent stability in aqueous environments and favorable light absorption properties. ...

American Chemical Society2017

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