Quantum modeling of beryllium surface oxidation and hydrogen adsorption

Journal of Physical Chemistry C

Volumn 115, Issue 16, 2011, Pages 8233-8239

  Allouche, A ^a  

^a CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BASAL SURFACE; ENERGY PROFILE; FIRST EXCITED STATE; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HEXAGONAL LATTICE; HOLLOW SITES; HYDROGEN ADSORPTION; HYDROGEN ATOMS; OXIDATION PROCESS; OXYGEN MOLECULE; QUANTUM MODELING; SURFACE ATOMS; SURFACE OXIDATIONS;

BERYLLIUM; CALCULATIONS; DENSITY FUNCTIONAL THEORY; EXCITED STATES; HYDROGEN; OXIDATION; OXYGEN;

GAS ADSORPTION;

EID: 79955397593     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2014379     Document Type: Article

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