Main Page
About Science
Faculty Deanship
Letter of Dean
Overview of Deanship
Vice Deans
Vice Dean
Letter of Vice-dean
Overview of Vice-deanship
Vice Dean for Graduate Studies
Letter of Vice Dean for Graduate Studies
Overview of Vice Dean of Postgraduate Studies
Research and Innovation Unit
Vice Dean for Girls Campus
Faculty Management
Letter of Managing Director-Boys Campus
Letter of Managing Director-Girls Campus
Overview of Management
Educational Affairs
Males Campus
Staff
Females Campus
Contact Us
Research
عربي
English
About
Admission
Academic
Research and Innovations
University Life
E-Services
Search
Faculty of Sciences
Document Details
Document Type
:
Article In Journal
Document Title
:
HYDROGEN ADSORPTION ON beta-TiAl (001) AND Ni/TiAl (001) SURFACES
HYDROGEN ADSORPTION ON beta-TiAl (001) AND Ni/TiAl (001) SURFACES
Subject
:
physics
Document Language
:
English
Abstract
:
In this paper, we present first principles calculations of the energetic, electronic and magnetic properties of the variant termination of TiAl (001) and Ni/TiAl (001) surfaces with and without hydrogen atoms. The calculations have been performed within the density functional theory using full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) is utilized as the exchange-correlation energy. The octahedral site is the stable absorption site of H atom in the beta-TiAl system. This absorption reduces the cohesive energy of beta-TiAl system due to increase in the lattice constant. The surface energy for both TiAl (001) terminations is calculated. The stable adsorption site of H atoms on the variant termination of TiAl (001) surface is performed. The adsorption energy of hydrogen on Ti is more energetic than that on Al. The adsorption of H atom on both terminations of H/Ni/TiAl (001) is more preferable at the bridge site. The adsorption energies are enhanced on Ni atom due to the contraction between d-Ni bands and TiAl substrate band.
ISSN
:
0218-625X
Journal Name
:
SURFACE REVIEW AND LETTERS
Volume
:
21
Issue Number
:
36
Publishing Year
:
1435 AH
2014 AD
Article Type
:
Article
Added Date
:
Tuesday, August 1, 2017
Researchers
Researcher Name (Arabic)
Researcher Name (English)
Researcher Type
Dr Grade
Email
A. A. Karim Mubarak
Mubarak, A. A. Karim
Investigator
Doctorate
ahmadd_phy@hotmail.com
Mahmoud Alelaimi
Alelaimi, Mahmoud
Researcher
Doctorate
Files
File Name
Type
Description
42392.pdf
pdf
Back To Researches Page