Molecular-scale structure of a nitrobenzene monolayer on Si(001)

Journal of Physical Chemistry C

Volumn 115, Issue 7, 2011, Pages 3011-3017

  Peng, Guowen ^a   Seo, Soonjoo ^a   Ruther, Rose E ^b   Hamers, Robert J ^b   Mavrikakis, Manos ^a   Evans, Paul G ^a,b  

^a University of Wisconsin Madison   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; BACKBONDS; INITIAL CONFIGURATION; LONG RANGE ORDERS; LOW ENERGIES; LOWER ENERGIES; MOLECULAR CONFIGURATIONS; MOLECULAR SCALE STRUCTURES; NUDGED ELASTIC BAND METHODS; PHENYL GROUP; PLANE WAVE DENSITY FUNCTIONAL THEORY; ROOM TEMPERATURE; SI(0 0 1); SI-DIMER;

ADSORPTION; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; MOLECULES; MONOLAYERS; NITROBENZENE; SCANNING TUNNELING MICROSCOPY; SILICON; SILICON COMPOUNDS; X RAY PHOTOELECTRON SPECTROSCOPY;

DIMERS;

EID: 79951934882     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1069434     Document Type: Article

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