Gold-sulfur bond breaking in Zn(II) tetraphenylporphyrin molecular junctions

Surface Science

Volumn 606, Issue 17-18, 2012, Pages 1412-1415

  Simbeck, Adam J ^a   Qian, Guoguang ^a   Nayak, Saroj K ^a   Wang, Gwo Ching ^a   Lewis, Kim M ^a  

^a RENSSELAER POLYTECHNIC INSTITUTE   (United States)

Author keywords

Density functional theory; Molecular break junction method; Molecular conductance; Tetraphenylporphyrin; Zn(II) tetraphenylporphyrin

Indexed keywords

BOND-BREAKING; BOND-STRETCHING; BREAK JUNCTIONS; CONDUCTANCE HISTOGRAMS; ELECTRODE MODELS; FIRST-PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; MOLECULAR CONDUCTANCE; MOLECULAR JUNCTION; QUANTIZED CONDUCTANCE; SINGLE STATE; TETRAPHENYL PORPHYRINS; TWO-STATE;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; MOLECULES; QUANTUM ELECTRONICS; SULFUR; ZINC;

ZINC COMPOUNDS;

EID: 84862680876     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.05.001     Document Type: Article

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