SIM-RUC
Surface & Interface Modeling
for Emerging Nanomaterials and Devices

Evolution of CH3NO2/Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study

Xueqiang Zhang,a† Chen-Guang Wang,b† Wei Ji,b* Sylwia Ptasinskac*

a. Radiation Laboratory, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
b. Department of Physics, Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Beijing 100872 (China), E-mail: wji@ruc.edu.cn
c.  Radiation Laboratory, Department of Physics, University of Notre Dame, Notre Dame, IN 46556, USA, E-mail: sylwia.ptasinska.1@nd.edu

DOI:10.1039/C6CC09961K    Publication Date: 


Abstract:

Dissociative adsorption of CH3NO2 onto a Si(100)-2×1 surface is studied using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and density functional theory (DFT) calculations. The unprecedented scission of the C-N bond in CH3NO2, and the formation of a Si-CH3 surface species are observed at elevated CH3NO2 pressure (0.5 mbar) and temperature (>573 K).


Keywords:


View: Chem. Commun.  53, 3342-3345 (2017)    

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