Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) - First principles study

International Journal of Hydrogen Energy

Volumn 39, Issue 10, 2014, Pages 4973-4980

  Lavanya, R ^a   Surya, V J ^b   Lakshmi, I ^c   Iyakutti, K ^d   Vasu, V ^a   Mizuseki, H ^e   Kawazoe, Y ^b,f  

^a MADURAI KAMARAJ UNIVERSITY   (India)

^b TOHOKU UNIVERSITY   (Japan)

^c STELLA MARIS COLLEGE   (India)

^d SRM INSTITUTE OF SCIENCE AND TECHNOLOGY   (India)

^e Korea Institute of Science and Technology   (South Korea)

^f NIKOLAEV INSTITUTE OF INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Density functional theory; First principle study; Functionalized CNT; Hydrogen storage; Renewable energy; TiO2

Indexed keywords

ARMCHAIR SINGLE WALLED CARBON NANOTUBES; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLE STUDY; FUNCTIONALIZED; RENEWABLE ENERGIES; SINGLEWALLED CARBON NANOTUBE (SWCNT); TIO; VIENNA AB-INITIO SIMULATION PACKAGES;

BINDING ENERGY; CARBON NANOTUBES; DENSITY FUNCTIONAL THEORY; TITANIUM DIOXIDE;

HYDROGEN STORAGE;

EID: 84897928636     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2014.01.048     Document Type: Article

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