Email RIS file
Bookmark
Report an Issue

Toward benchmarking in catalysis science [electronic resource] : Best practices, challenges, and opportunities

Published
Washington, D.C. : United States. Dept. of Energy. Office of Basic Energy Sciences, 2016.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
2,590 - 2,602 : digital, PDF file
Additional Creators
Brookhaven National Laboratory, United States. Department of Energy. Office of Basic Energy Sciences, and United States. Department of Energy. Office of Scientific and Technical Information
Access Online

Availability

I Want It
I Want It

Finding items...

Restrictions on Access
Free-to-read Unrestricted online access
Summary
Benchmarking is a community-based and (preferably) community-driven activity involving consensus-based decisions on how to make reproducible, fair, and relevant assessments. In catalysis science, important catalyst performance metrics include activity, selectivity, and the deactivation profile, which enable comparisons between new and standard catalysts. Benchmarking also requires careful documentation, archiving, and sharing of methods and measurements, to ensure that the full value of research data can be realized. Beyond these goals, benchmarking presents unique opportunities to advance and accelerate understanding of complex reaction systems by combining and comparing experimental information from multiple, in situ and operando techniques with theoretical insights derived from calculations characterizing model systems. Lastly, this Perspective describes the origins and uses of benchmarking and its applications in computational catalysis, heterogeneous catalysis, molecular catalysis, and electrocatalysis. It also discusses opportunities and challenges for future developments in these fields.
Report Numbers
E 1.99:bnl--112274-2016-ja
bnl--112274-2016-ja
Subject(s)
Note
Published through SciTech Connect.
04/01/2016.
"bnl--112274-2016-ja"
"KC0302010"
ACS Catalysis 6 4 ISSN 2155-5435 AM
Thomas Bligaard; Jingguang G. Chen; R. Morris Bullock; Charles T. Campbell; Bruce C. Gates; Raymond J. Gorte; Christopher W. Jones; William D. Jones; John R. Kitchin; Susannah L. Scott.
Funding Information
SC00112704
CO009
View MARC record | catkey: 24044183