Electron Transfer from Hydrogen Molecule to Au (111) During Dissociative Adsorption : A First-Principles Study(Condensed matter : electronic structure and electrical, magnetic, and optical properties)
スポンサーリンク
概要
- 論文の詳細を見る
We investigate the electron transfer from a dissociatively adsorbed H_2 molecule to a Au (111) surface using the first-principles methods. A fractional electron transfers from a molecule to a substrate, and potential energy increases during the process. The initial energy increase coincides with that of the isolated, separated, and positively charged H_2 molecule calculated by the real-space density functional method. The barrier formation is due to the destabilization of the molecule induced by the electron transfer. The electronegativity difference between the adsorbate and the substrate determines the direction of the electron transfer.
- 社団法人日本物理学会の論文
- 2008-05-15
著者
-
Tsumuraya Kazuo
Department Of Mechanical Science And System Engineering School Of Science And Engineering Meiji Univ
-
Hoshino Jun-ichi
Department Of Mechanical Engineering Informatics School Of Science And Technology Meiji University
-
Takagi Shigeyuki
Department Of Mechanical Engineering Informatics School Of Science And Technology Meiji University
-
TOMONO Hidekazu
Department of Mechanical Engineering Informatics, School of Science and Technology, Meiji University
-
Tsumuraya Kazuo
Department Of Mechanical Engineering Informatics School Of Science And Technology Meiji University
-
Tomono Hidekazu
Department Of Mechanical Engineering Informatics School Of Science And Technology Meiji University
関連論文
- Contralateral Development of Acute Subdural Hematoma Following Surgery for Chronic Subdural Hematoma : Case Report
- Exohedral Bonding Nature of Si Atom on the Ba@Si_ Cluster ; Ab Initio Study
- Guest Atom Displacements in Silicon Cluster Na_2@Si_H_
- Electron Transfer from Hydrogen Molecule to Au (111) During Dissociative Adsorption : A First-Principles Study(Condensed matter : electronic structure and electrical, magnetic, and optical properties)
- Ab-initio Prediction of Site-Preference of Ba Atom in Si_ Clathrates
- Formation Energies of Ba Atom in Si_n(n=20, 24, 28) Clusters : Ab-initio Study
- Bonding Nature of Si_7 Bicapped Pentagon Cluster: Ab-initio Study
- RADIOLOGICAL FEATURES OF LIPOMA OF THE CORPUS CALLOSUM
- CT FINDINGS IN AN ALOBAR HOLOPROSENCEPHALY ASSOCIATED WITH DANDY-WALKER'S CYST