Geometry, electronic properties, and hydrogen adsorption properties of Li3N-based nanostructures

Journal of Physical Chemistry C

Volumn 114, Issue 45, 2010, Pages 19202-19205

  Jiang, Z P ^a   Zhou, X ^a   Sun, Qiang ^a,b   Wang, Qian ^b   Jena, Puru ^b  

^a PEKING UNIVERSITY   (China)

^b VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; COVALENT CHARACTER; EXCHANGE AND CORRELATION; GENERALIZED GRADIENT APPROXIMATIONS; HOMO-LUMO GAPS; HYDROGEN ADSORPTION; HYDROGEN MOLECULE; LI ATOMS; LITHIUM METALS; LOW COORDINATION; METALLIC ELEMENTS; NANORIBBONS; PERIODIC TABLE; POROUS SUBSTRATES; SMALL CLUSTERS;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GAS ADSORPTION; HYDROGEN; LITHIUM; MOLECULES; NANOSTRUCTURES;

HYDROGEN STORAGE;

EID: 78650365454     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1058403     Document Type: Article

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