Ab initio investigations on the geometric and electronic structures of a diblock molecular diode under the influence of an external bias

Molecular Simulation

Volumn 35, Issue 4, 2009, Pages 301-307

  Li, Yanwei ^a   Yao, Jinhuan ^a   Yang, Chuanlu ^b   Zhong, Shengkui ^a   Yin, Geping ^c  

^a GUILIN UNIVERSITY OF TECHNOLOGY   (China)

^b LUDONG UNIVERSITY   (China)

^c HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Ab initio; Electronic structures; External bias; Molecular electronics

Indexed keywords

AB INITIO; AB INITIO INVESTIGATION; APPLIED BIAS; ASYMMETRIC STRUCTURES; ASYMMETRICAL CURRENT; DIBLOCKS; DONOR AND ACCEPTOR; ENERGY LEVEL; EXTERNAL BIAS; FRONTIER MOLECULAR ORBITALS; HARTREE-FOCK LEVELS; MOLECULAR DIODES; SPATIAL DISTRIBUTION; THEORETICAL INVESTIGATIONS;

CHEMICAL BONDS; DIODES; ELECTRIC POTENTIAL; ELECTRONIC PROPERTIES; MOLECULAR ELECTRONICS; MOLECULAR MODELING; MOLECULAR ORBITALS; ORGANIC POLYMERS; SIZE DISTRIBUTION; THIOPHENE;

ELECTRONIC STRUCTURE;

EID: 68149169985     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802468356     Document Type: Article

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