Hydrogen atom adsorption on α-Al 2O 3(0001) surface from first principles

Advanced Materials Research

Volumn 399-401, Issue , 2012, Pages 2261-2265

  Hu, Jiangong ^a   Zhang, Yisheng ^a   Jia, Lichao ^a   Zhu, Bin ^a   Yang, Hongguang ^b   Zhan, Qin ^b  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b CHINA INSTITUTE OF ATOMIC ENERGY   (China)

Author keywords

Al 2O 3; Adsorption energy; Charge density distribution; First principles study; Surface adsorption

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION ENERGY; ADSORPTION SITE; ATOM CLUSTERS; ATOP SITES; CHARGE DENSITY DISTRIBUTION; DENSITY FUNCTIONAL THEORY IN THE GENERALIZED GRADIENT APPROXIMATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HYDROGEN ATOMS; SURFACE ADSORPTION;

ALUMINUM; ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN; METALLURGICAL ENGINEERING; MONOLAYERS; SURFACE STRUCTURE;

GAS ADSORPTION;

EID: 83755173355     PISSN: 10226680     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/AMR.399-401.2261     Document Type: Conference Paper

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