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Role of surface defect sites: from Pt model surfaces to shape-controlled nanoparticles

✍ Scribed by Chen, Qing-Song ;Vidal-Iglesias, Francisco J. ;Solla-Gullón, José ;Sun, Shi-Gang ;Feliu, Juan M.

Book ID
118188473
Publisher
The Royal Society of Chemistry
Year
2012
Tongue
English
Weight
575 KB
Volume
3
Category
Article
ISSN
2041-6520

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Active sites of Pt surfaces from ab init
Active sites of Pt surfaces from ab initio cluster model molecular electrostatic potential maps
✍ S. Zurita; J. Rubio; F. Illas 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 790 KB

The electrostatic potential distribution above the Pt(lOO), Pt(ll0) and Pt(ll1) surfaces has been studied using finite cluster model representations of the surfaces and their ab initio Hartree-Fock electron densities. From the different distributions it is seen that electrostatic effects are not sub