article Open AccessTop 1% cited
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
Surface Science · 2015 · Vol. 640 · pp. 36–44
Jess Wellendorff(SLAC National Accelerator Laboratory)Trent L. Silbaugh(University of Washington)Delfina Garcia-Pintos(Stanford University)Jens K. Nørskov(SLAC National Accelerator Laboratory)Thomas Bligaard(Stanford University)Felix Studt✉(Stanford University)Charles T. Campbell✉(University of Washington)
Advanced Chemical Physics StudiesMolecular Junctions and NanostructuresMachine Learning in Materials ScienceAdsorptionBenchmarkingTransition metalBenchmark (surveying)Materials scienceDensity functional theoryThermodynamicsPhysical chemistryChemical physicsChemistry
Funding
- National Science Foundation
- Office of Science
- Basic Energy Sciences
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567
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