Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces.

Herron, Jeffrey A; Morikawa, Yoshitada; Mavrikakis, Manos.

Herron JA; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI 53706;
Morikawa Y; Division of Precision Science & Technology and Applied Physics, Osaka University, Osaka 565-0871, Japan manos@engr.wisc.edu morikawa@prec.eng.osaka-u.ac.jp.
Mavrikakis M; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI 53706; manos@engr.wisc.edu morikawa@prec.eng.osaka-u.ac.jp.

Proc Natl Acad Sci U S A ; 113(34): E4937-45, 2016 08 23.

Article en En | MEDLINE | ID: mdl-27503889