Screening of electrocatalytic materials for hydrogen evolution

Mårten Björketun, Alexander S. Bondarenko, Billie Abrams, Ib Chorkendorff, Jan Rossmeisl

Research output: Contribution to journalJournal articleResearchpeer-review


A general scheme for high-throughput screening of electrocatalysts is presented. By systematically exploiting a collection of theoretical and experimental materials databases, supplemented with quantum mechanical calculations, it locates systems that meet a set of pre-imposed selection criteria. As an example, the scheme is used to identify a binary “substrate-overlayer” electrocatalytic system for the hydrogen evolution reaction. The best catalysts found in this screening are based on Cu and W. The hydrogen evolution activity of W–Cu catalysts is evaluated by means of cyclic voltammetry. It turns out to be considerably more active than any of its constituents, pure W and Cu.
Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Issue number35
Pages (from-to)10536-10541
Publication statusPublished - 2010


Dive into the research topics of 'Screening of electrocatalytic materials for hydrogen evolution'. Together they form a unique fingerprint.

Cite this