4.2 Article

Density functional theory (DFT) investigation of the adsorption of the CH3OH/Au(100) system

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

First-principles study of the water structure on flat and stepped gold surfaces

Xiaohang Lin et al.

SURFACE SCIENCE (2012)

Article Chemistry, Physical

Theoretical Study of O-Assisted Selective Coupling of Methanol on Au(111)

Bingjun Xu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Physics, Condensed Matter

Density-functional study of the methoxy intermediates at Cu(111), Cu(110) and Cu(001) surfaces

Stepan Pick

JOURNAL OF PHYSICS-CONDENSED MATTER (2010)

Article Chemistry, Multidisciplinary

Selectivity Control in Gold-Mediated Esterification of Methanol

Bingjun Xu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)

Article Materials Science, Multidisciplinary

Comparative study of CO adsorption on flat, stepped, and kinked Au surfaces using density functional theory

Faisal Mehmood et al.

PHYSICAL REVIEW B (2009)

Article Chemistry, Physical

DFT study of methanol adsorption and dissociation on β-Mo2C(001)

C. Pistonesi et al.

SURFACE SCIENCE (2008)

Review Chemistry, Physical

DFT studies of methanol decomposition on Ni(100) surface: Compared with Ni(111) surface

Yu-Hua Zhou et al.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2006)

Article Chemistry, Physical

Adsorption and dissociation of methanol on Au(111) surface: A first-principles periodic density functional study

Wen-Kai Chen et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)

Article Chemistry, Physical

Theoretical simulation of butane isomers adsorption on a Pt(100) surface

P. Legare et al.

SURFACE SCIENCE (2006)

Article Chemistry, Multidisciplinary

Adsorption of methanol and methoxy on Cu(111) surface: A first-principles periodic density functional theory study

Chen Wen-Kai et al.

CHINESE JOURNAL OF CHEMISTRY (2006)

Review Chemistry, Physical

Kinetic mechanism of methanol decomposition on Ni(111) surface: A theoretical study

GC Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Chemistry, Physical

Effect of oxygen precoverage on the reactivity of methanol on Ru(001) surfaces

RB Barros et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

Article Chemistry, Multidisciplinary

Competitive paths for methanol decomposition on Pt(111)

J Greeley et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Article Materials Science, Multidisciplinary

Theoretical study of n-alkane adsorption on metal surfaces

Y Morikawa et al.

PHYSICAL REVIEW B (2004)

Article Chemistry, Physical

FTIR study of methanol decomposition on gold catalyst for fuel cells

F Boccuzzi et al.

JOURNAL OF POWER SOURCES (2003)

Article Chemistry, Physical

The first-principle study of the iodine-modified silver surfaces

Y Wang et al.

SURFACE SCIENCE (2001)

Article Chemistry, Physical

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Article Chemistry, Physical

Roles of surface and subsurface oxygen in the dehydrogenation of methanol on silver surface

Q Sun et al.

CHEMICAL PHYSICS LETTERS (2000)