Theoretical insight of polypyrrole ammonia gas sensor

Synthetic Metals

Volumn 172, Issue , 2013, Pages 14-20

  Ullah, Habib ^a   Ayub, Khurshid ^b   Ullah, Zakir ^a   Hanif, Muhammad ^b   Nawaz, Raziq ^b   Shah, Anwar Ul Haq Ali ^a   Bilal, Salma ^a  

^a UNIVERSITY OF PESHAWAR   (Pakistan)

^b Development Studies   (Pakistan)

Author keywords

B3LYP 6 31G (d); ); Band gap; Conducting polymers; Density functional theory; Electron affinity; Gas sensor; HOMO LUMO; Ionization potential; Mulliken; NBO; Polypyrrole; TD DFT; UV vis

Indexed keywords

B3LYP/6-31G; HOMO-LUMO; MULLIKEN; NBO; TD-DFT; UV-VIS;

CHEMICAL SENSORS; CONDUCTING POLYMERS; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ELECTRONIC PROPERTIES; ENERGY GAP; GAS DETECTORS; GEOMETRY; HYDROGEN BONDS; IONIZATION POTENTIAL; OLIGOMERS; POLYPYRROLES; SENSORS;

AMMONIA;

EID: 84876895165     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2013.03.021     Document Type: Article

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