Machine-learning prediction of d-band center for metals and bimetals

Paper Machine-learning prediction of d-band center for metals and bimetals Ichigaku Takigawa, Ken-ichi Shimizu, Koji Tsuda and Satoru TakakusagiRSC Adv., 2016, Accepted Manuscript DOI: 10.1039/C6RA04345CReceived 18 Feb 2016, Accepted 23 May 2016First published online 25 May 2016    Send PDF to Kindle Request Permissions This content is free, please choose one of the three options provided in the Log in section to gain access. Please choose one of the options provided in the log in section to gain access to this content: The d-band center for metals has been widely used in order to understand activity trends in metal-surface-catalyzed reactions in terms of the linear Brønsted–Evans–Polanyi relation and Hammer-Nørskov d-band model. In this paper, the d-band centers for eleven metals (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt,…


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