Publication

In Search of Covalent Organic Framework Photocatalysts: A DFT-Based Screening Approach

Related publications (31)

Instabilities in Elastic and Magneto-Elastic Beams and Shells: from Shell Buckling to the Design of a Programmable Braille Reader

In this thesis, we conduct a comprehensive investigation into structural instabilities of both elastic and magneto-elastic beams and shells, resulting in a creative proposal to design a programmable braille reader. Methodologically, we combine numerical si ...

EPFL2024

Influence of fiber orientation on the tensile behavior of UHPFRC and reinforced UHPFRC under static and fatigue loadings

Jian Zhan

Ultra-high performance fiber reinforced cementitious composite (UHPFRC) is a modern class of cementitious building materials. Because of its superior mechanical properties and durability, it is increasingly used globally to rehabilitate, strengthen and mod ...

EPFL2024

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

Modeling, design and economics of PEC devices

Alexandre Dominique M. Cattry

Photo-electrochemical (PEC) devices allow for converting solar energy into chemical energy and for the production of energetically dense solar fuels. Light absorption, charge separation and transport, electrochemical reactions, and ionic transport are requ ...

EPFL2024

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction

Raffaella Buonsanti, Anna Loiudice, Petru Pasquale Albertini, Jan Vávra, Gaétan Philippe Louis Ramona

Understanding metal surface reconstruction is of the utmost importance in electrocatalysis, as this phenomenon directly affects the nature of available active sites. However, its dynamic nature renders surface reconstruction notoriously difficult to study. ...

Nature Portfolio2024

Phase-stable indium sulfide achieves an energy conversion efficiency of 14.3% for solar-assisted carbon dioxide reduction to formate

Michael Graetzel, Jing Gao, Jingshan Luo, Xiaoyu Zhang, Jun Li, Qixing Zhang

Tremendous efforts have been made in developing highly selective catalysts for electrochemical CO 2 conversion to formate. However, the rapid deactivation resulting from structural reconstruction and phase transition poses considerable challenges to the sy ...

Cell Press2024

Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Shubhajit Das

Frustrated Lewis pairs (FLPs), featuring reactive combinations of Lewis acids and Lewis bases, have been utilized for myriad metal-free homogeneous catalytic processes. Immobilizing the active Lewis sites to a solid support, especially to porous scaffolds, ...

Amer Chemical Soc2024

Methods to assess the carbon footprint of structures involving UHPFRC elements

Eugen Brühwiler, Numa Joy Bertola, Antonina Hochuli

The development of Ultra-High Performance Fibre-Reinforced Cementitious Composite (UHPFRC) has enabled the design of lightweight constructions. Although the greenhouse gas emissions of UHPFRC per volume are higher than that of conventional concr ...

Kassel University Press2024

Microstructure - Electrochemical Surface Reactivity Relationship of Electrochemically Grown Manganese Oxides Films

Roberto Cestaro

This Thesis provides a comprehensive and correlative investigation of the microstructure, chemical state, and electrochemical reactivity of manganese oxide (MnOx) films, aiming to gain a deeper understanding of the deposition and dissolution mechanism of M ...

EPFL2024