Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers

2015 ◽  
Vol 7 (5) ◽  
pp. 403-410 ◽  
Author(s):  
Federico Calle-Vallejo ◽  
David Loffreda ◽  
Marc T. M. Koper ◽  
Philippe Sautet
Keyword(s):  
Adsorption Energy ◽  
Scaling Relations ◽  
Structural Sensitivity ◽  
Coordination Numbers ◽  
Energy Scaling

scholarly journals Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

2018 ◽  
Vol 8 ◽  
pp. 110-117 ◽  
Author(s):  
Nitish Govindarajan ◽  
Juan M. García-Lastra ◽  
Evert Jan Meijer ◽  
Federico Calle-Vallejo
Keyword(s):  
Adsorption Energy ◽  
Scaling Relations ◽  
Energy Scaling

Establishing and Understanding Adsorption–Energy Scaling Relations with Negative Slopes

2016 ◽  
Vol 7 (24) ◽  
pp. 5302-5306 ◽  
Author(s):  
Hai-Yan Su ◽  
Keju Sun ◽  
Wei-Qi Wang ◽  
Zhenhua Zeng ◽  
Federico Calle-Vallejo ◽  
...  
Keyword(s):  
Adsorption Energy ◽  
Scaling Relations ◽  
Energy Scaling

scholarly journals How covalence breaks adsorption-energy scaling relations and solvation restores them

2017 ◽  
Vol 8 (1) ◽  
pp. 124-130 ◽  
Author(s):  
Federico Calle-Vallejo ◽  
Alexander Krabbe ◽  
Juan M. García-Lastra
Keyword(s):  
Aqueous Solution ◽  
Oxygen Reduction ◽  
Adsorption Energy ◽  
Scaling Relations ◽  
Scaling Relation ◽  
Energy Scaling ◽  
Adsorption Energies

We show that under vacuum various metalloporphyrins break the scaling relation between the adsorption energies of *OH and *OOH, which can potentially boost oxygen reduction and evolution. In aqueous solution, however, such scaling relation is restored.

Departures from the Adsorption Energy Scaling Relations for Metal Carbide Catalysts

2014 ◽  
Vol 118 (24) ◽  
pp. 13026-13034 ◽  
Author(s):  
Ronald Michalsky ◽  
Yin-Jia Zhang ◽  
Andrew J. Medford ◽  
Andrew A. Peterson
Keyword(s):  
Adsorption Energy ◽  
Scaling Relations ◽  
Metal Carbide ◽  
Energy Scaling

Adsorption energy scaling relation on bimetallic magnetic surfaces: role of surface magnetic moments

2020 ◽  
Vol 22 (32) ◽  
pp. 17960-17968
Author(s):  
Swetarekha Ram ◽  
Seung-Cheol Lee ◽  
Satadeep Bhattacharjee
Keyword(s):  
Adsorption Energy ◽  
Magnetic Moments ◽  
Linear Scaling ◽  
Scaling Relation ◽  
Energy Scaling ◽  
Magnetic Surfaces ◽  
Adsorption Energies

Linear scaling of adsorption energies in terms of surface magnetic moments.

scholarly journals Origin of Chemisorption Energy Scaling Relations over Perovskite Surfaces

2019 ◽  
Vol 123 (46) ◽  
pp. 28275-28283
Author(s):  
Yang Li ◽  
Wei Cheng ◽  
Zhi-Jun Sui ◽  
Xing-Gui Zhou ◽  
De Chen ◽  
...  
Keyword(s):  
Scaling Relations ◽  
Energy Scaling ◽  
Chemisorption Energy

Zero-valent ML2 complexes of group 10 metals supported by terphenyl phosphanes

2021 ◽  
Author(s):  
M. Trinidad Martín ◽  
Mario Marín ◽  
Raquel J. Rama ◽  
Eleuterio Alvarez González ◽  
Celia Maya ◽  
...  
Keyword(s):  
Coordination Numbers ◽  
Group 10 ◽  
Group 10 Metals

Bulky terphenyl phosphane ligands PMe2Ar’ (Ar’ = terphenyl group) facilitate the isolation of zero-valent bis-phosphane complexes of nickel, palladium and platinum. The former show coordination numbers greater than two in...

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