Title of article :
Quantum-sized mechanism of hydrogen polycondensation on carbon nanotubular surfaces
Author/Authors :
Beznosyuk، نويسنده , , S.A. and Shtobbe، نويسنده , , I.A. and Zhukovsky، نويسنده , , M.S.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Pages :
3
From page :
1277
To page :
1279
Abstract :
Quantum-sized mechanisms for describing of hydrogen polycondensation are suggested. It is demonstrated that some kind of hydrogen polycondensation can be a consequence of supramolecular aggregation of quantum-sized hydrogen atoms. Distinctions of models consist in a different role of catalysts in hydrogen molecules dissociation. After achievement of critical number of quantum-sized hydrogen atoms inside nanotubular carbon hydrogen polycondensation goes spontaneously. According to density functional calculation in non-local density approximation it should be a self-constriction of the polycondensate that allows receiving high concentration of H-atoms in nanotubular carbon.
Keywords :
Density functional theory in non-local approximation , Models of hydrogen aggregation in nanotubular carbon , Quantum-sized mechanisms of supramolecular polycondensation of atomic hydrogen , Nanotubular accumulators of hyd , Critical phenomena of polycondensation
Journal title :
Materials Science and Engineering C
Serial Year :
2007
Journal title :
Materials Science and Engineering C
Record number :
2099202
Link To Document :
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