Literature DB >> 30923115

Theory and experiments join forces to characterize the electrocatalytic interface.

Stephan N Steinmann1, Zi-Yang Wei2, Philippe Sautet3,4,5.   

Abstract

Year:  2019        PMID： 30923115      PMCID： PMC6475385          DOI： 10.1073/pnas.1903412116

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN： 0027-8424            Impact factor:   11.205


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  16 in total

1.  Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode.

Authors:  Egill Skúlason; Gustav S Karlberg; Jan Rossmeisl; Thomas Bligaard; Jeff Greeley; Hannes Jónsson; Jens K Nørskov
Journal:  Phys Chem Chem Phys       Date:  2007-05-30       Impact factor: 3.676

2.  Insights into current limitations of density functional theory.

Authors:  Aron J Cohen; Paula Mori-Sánchez; Weitao Yang
Journal:  Science       Date:  2008-08-08       Impact factor: 47.728

3.  Theoretical considerations on the electroreduction of CO to C2 species on Cu(100) electrodes.

Authors:  Federico Calle-Vallejo; Marc T M Koper
Journal:  Angew Chem Int Ed Engl       Date:  2013-06-03       Impact factor: 15.336

4.  Heterogeneous catalytic conversion of CO2: a comprehensive theoretical review.

Authors:  Yawei Li; Siew Hwa Chan; Qiang Sun
Journal:  Nanoscale       Date:  2015-05-21       Impact factor: 7.790

5.  Interfacial water. The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy.

Authors:  Juan-Jesus Velasco-Velez; Cheng Hao Wu; Tod A Pascal; Liwen F Wan; Jinghua Guo; David Prendergast; Miquel Salmeron
Journal:  Science       Date:  2014-10-23       Impact factor: 47.728

6.  High-rate electrochemical energy storage through Li+ intercalation pseudocapacitance.

Authors:  Veronica Augustyn; Jérémy Come; Michael A Lowe; Jong Woung Kim; Pierre-Louis Taberna; Sarah H Tolbert; Héctor D Abruña; Patrice Simon; Bruce Dunn
Journal:  Nat Mater       Date:  2013-04-14       Impact factor: 43.841

7.  Mechanism and Tafel lines of electro-oxidation of water to oxygen on RuO2(110).

Authors:  Ya-Hui Fang; Zhi-Pan Liu
Journal:  J Am Chem Soc       Date:  2010-12-06       Impact factor: 15.419

8.  Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car-Parrinello-like Approach.

Authors:  Thomas D Kühne; Matthias Krack; Michele Parrinello
Journal:  J Chem Theory Comput       Date:  2009-01-09       Impact factor: 6.006

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

Authors:  Jeffrey A Herron; Yoshitada Morikawa; Manos Mavrikakis
Journal:  Proc Natl Acad Sci U S A       Date:  2016-08-08       Impact factor: 11.205

10.  Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model.

Authors:  Jason D Goodpaster; Alexis T Bell; Martin Head-Gordon
Journal:  J Phys Chem Lett       Date:  2016-04-07       Impact factor: 6.475
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