02.12.2021NANO COLLOQUIA S3 Avinash Vikatakavi
Date and Time: December 2, 2021 - 15.00 ONLINE
25.11.2021Producing electricity from heat losses: engineered in Pisa the first device capable of achieving it in a controlled manner
It is now possible to create a new generation of “smart” thermoelectric systems to generate clea...
23.11.2021il progetto RIMMEL @ MECSPE - Bologna 2021
Si svolgerà martedì 23 novembre, dalle 16.45 alle 17.45 (Sala Concerto c/o Centro Servizi – Bolo...
19.11.2021Graphene as a solid lubricant becomes super-slippery
Cnr Nano researchers in collaboration with Sussex University and Rice University studied the frictio...
17.11.2021International Workshop on Advanced Materials-to-Device Solutions for Synaptic Electronics
CNR Nano and ICN2 organized the
03.11.2021The RIMMEL Project @ l'Europa è qui 2021 – VOTE THE VIDEO ONLINE
The RIMMEL project enters the “Europe is here ...
11.10.2021Quantum computers become an experimental physics laboratory
A quantum computer is a machine designed to do calculations. Now a group of physicists from CnrNano,...
05.10.20212021 Nobel Prize for the discoveries on TRPV1 and PIEZO receptors
The seminal discoveries by this year’s Nobel Laureates have explained how heat, cold and touch can...
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Prof. Oliviero Andreussi (Department of Physics, University of North Texas, Denton, TX, USA) Continuum approaches in electrochemistry S3 Seminar Room, Third Floor, Physics Building, FIM Department Abstract: Continuum models of solvation have played a crucial role in the computational characterization of molecules solvated in neutral or electrolyte solutions. Recent advances in the field have extended the capabilities of this class of methods towards the characterization of solvated interfaces, possibly in the presence of an applied electrochemical potential. These recent advances have opened the possibility of modeling heterogeneous catalysis and electrochemistry in a first-principles-based framework, where the multiscale nature of the developed approaches provides a significant reduction of the computational burden while retaining a good accuracy. Moreover, the coupling of complex continuum embeddings with computational spectroscopy techniques allows further validation of the methodologies and rationalization of the experiments. This is particularly crucial in light of the recent developments in the field of in operando spectroscopies for the characterization of electrochemical and electrocatalytic systems. Here, the core methodological aspects and the most recent features of these recently developed continuum solvation approaches, as implemented in the ENVIRON library (www.quantum-environ.org), will be reviewed. Applications to the study of environment effects in electrocatalysis, such as in the oxygen and CO2 reduction reactions on noble metal surfaces and clusters, will be presented. Host: Stefano Corni stefano.corni@unipd.it - Andrea Ferretti andrea.ferretti@nano.cnr.it