✦ LIBER ✦

Pathways to dissociation of O2 on Cu (110) surface: first principles simulations

✍ Scribed by S.Y. Liem; J.H.R. Clarke; G. Kresse

Book ID: 117214892
Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 342 KB
Volume: 459
Category: Article
ISSN: 0039-6028
DOI: 10.1016/s0039-6028(00)00451-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles molecular dynamics simu

First-principles molecular dynamics simulation of water dissociation on TiO2 (110)

✍ P.J.D. Lindan; N.M. Harrison; J.M. Holender; M.J. Gillan 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 564 KB

We have performed first-principles molecular dynamics calculations of water adsorption on TiO2 (110). We find that dissociative adsorption occurs at the fivefold-coordinated Ti site resulting in the formation of two types of hydroxyl group. The vibrational spectra calculated from this hydroxylated s

Dissociative chemisorption of O2 on Cu(1

Dissociative chemisorption of O2 on Cu(110)

✍ A. Hodgson; A.K. Lewin; A. Nesbitt 📂 Article 📅 1993 🏛 Elsevier Science ⚖ 133 KB

Photodissociation of CH3I on Cu(110)–I:

Photodissociation of CH3I on Cu(110)–I: surface effects on dissociation pathways

✍ C.C. Johnson; E.T. Jensen 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 145 KB

Adsorption of O on Mo(110) surface from

Adsorption of O on Mo(110) surface from first-principles calculation

✍ Y. G. Zhou; X. T. Zu; J. L. Nie; F. Gao 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 743 KB

Dissociation of O2 on the reduced SnO2 (

Dissociation of O2 on the reduced SnO2 (110) surface

✍ Slater, Ben; Catlow, C. Richard A.; Williams, David E.; Stoneham, A. Marshall 📂 Article 📅 2000 🏛 Royal Society of Chemistry 🌐 English ⚖ 145 KB

Benzotriazole Adsorption on Cu 2 O(111)

Benzotriazole Adsorption on Cu 2 O(111) Surfaces: A First-Principles Study

✍ Jiang, Yong; Adams, James B.; Sun, Donghai 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 398 KB