JCP Selects IACS Faculty Work as Editor's Choice for 2015

Associate Professor Marivi Fernandez-Serra

The Editors of The Journal of Chemical Physics annually select a few of the many notable articles published in that year as presenting significant and definitive research in experimental and theoretical areas of the field. The article “Local Order of Liquid Water at Metallic Electrode Surfaces” has been selected as a JCP Editors’ Choice for 2015.

 

In this contribution IACS core faculty member Marivi Fernandez-Serra and her postdoc Dr. Luana Pedroza, from the Physics & Astronomy Department, studied and modeled the electrochemical interface using ab initio molecular dynamics simulations. Their results show how the order of liquid water at different metal electrodes is strongly dependent on the nature of the electrode and on the applied voltage. Contrary to previous results, their study shows that the electrochemical interface is quantum mechanical in nature and that very accurate modeling is necessary in order to make progress in our understanding of interfacial electrochemical phenomena. This is critical in order to design new materials for electrochemical energy storage.

 

Assistant Professor Luana Pedroza

Luana Pedroza is now an Assistant Professor at the University of Sao Polo. She continues to work with Professor Fernandez-Serra on developing new numerical methods to perform ab initio molecular dynamics simulations under non equilibrium conditions, such as in the presence of a charged electrode.