Study of pure and doped hydrogenated germanium cages: A density functional investigation

Nanotechnology

Volumn 20, Issue 27, 2009, Pages

  Bandyopadhyay, Debashis ^a  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AB INITIO; ADIABATIC ELECTRON AFFINITY; ANION CLUSTERS; BASIS SETS; ELECTRONIC STRUCTURE CALCULATIONS; EMBEDDING ENERGY; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRICAL OPTIMIZATION; GERMANIUM NANOCLUSTERS; HOMO-LUMO GAPS; IR AND RAMAN SPECTRA; OPTICAL BEHAVIOUR; OPTIMIZED GEOMETRIES; SPIN-POLARIZED;

BINDING ENERGY; ELECTRON AFFINITY; GERMANIUM; HYDROGENATION; IONIZATION POTENTIAL; MERCURY (METAL); NANOCLUSTERS; ZINC;

DENSITY FUNCTIONAL THEORY;

ANION; CATION; GERMANIUM; NANOMATERIAL; ZINC; CADMIUM; HYDROGEN; MERCURY;

AB INITIO CALCULATION; ADIABATICITY; ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY YIELD; GEOMETRY; HYDROGENATION; INFRARED RADIATION; IONIZATION; OPTICAL ROTATION; POLARIZATION; PRIORITY JOURNAL; RAMAN SPECTROMETRY; STRUCTURE ANALYSIS; CHEMICAL MODEL; CHEMISTRY; ELECTROCHEMISTRY; THERMODYNAMICS;

CADMIUM; ELECTROCHEMISTRY; GERMANIUM; HYDROGEN; MERCURY; MODELS, CHEMICAL; MODELS, MOLECULAR; NANOSTRUCTURES; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; ZINC;

EID: 67649363931     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/20/27/275202     Document Type: Article

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