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Title: Evolution of CH 3 NO 2 /Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study

Abstract

Dissociative adsorption of CH 3NO 2onto a Si(100)-2 × 1 surface is studied using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and density functional theory (DFT) calculations.

Authors:
 [1];  [2];  [2];  [3]
  1. Radiation Laboratory; Department of Chemistry and Biochemistry; University of Notre Dame; Notre Dame; USA
  2. Department of Physics; Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices; Beijing 100872; China
  3. Radiation Laboratory; Department of Physics; University of Notre Dame; Notre Dame; USA
Publication Date:
Research Org.:
Univ. of Notre Dame, IN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1535113
DOE Contract Number:  
FC02-04ER15533
Resource Type:
Journal Article
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 53; Journal Issue: 23; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Zhang, Xueqiang, Wang, Chen-Guang, Ji, Wei, and Ptasinska, Sylwia. Evolution of CH 3 NO 2 /Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study. United States: N. p., 2017. Web. doi:10.1039/c6cc09961k.
Zhang, Xueqiang, Wang, Chen-Guang, Ji, Wei, & Ptasinska, Sylwia. Evolution of CH 3 NO 2 /Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study. United States. doi:10.1039/c6cc09961k.
Zhang, Xueqiang, Wang, Chen-Guang, Ji, Wei, and Ptasinska, Sylwia. Sun . "Evolution of CH 3 NO 2 /Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study". United States. doi:10.1039/c6cc09961k.
@article{osti_1535113,
title = {Evolution of CH 3 NO 2 /Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study},
author = {Zhang, Xueqiang and Wang, Chen-Guang and Ji, Wei and Ptasinska, Sylwia},
abstractNote = {Dissociative adsorption of CH3NO2onto a Si(100)-2 × 1 surface is studied using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and density functional theory (DFT) calculations.},
doi = {10.1039/c6cc09961k},
journal = {ChemComm},
issn = {1359-7345},
number = 23,
volume = 53,
place = {United States},
year = {2017},
month = {1}
}

Works referenced in this record:

Formation of Stable Nitrene Surface Species by the Reaction of Adsorbed Phenyl Isocyanate at the Ge(100)-2 × 1 Surface
journal, December 2013

  • Wong, Keith T.; Tanskanen, Jukka T.; Bent, Stacey F.
  • Langmuir, Vol. 29, Issue 51
  • DOI: 10.1021/la4036216

Strong Carbon-Surface Dative Bond Formation by tert -Butyl Isocyanide on the Ge(100)-2 × 1 Surface
journal, April 2014

  • Shong, Bonggeun; Wong, Keith T.; Bent, Stacey F.
  • Journal of the American Chemical Society, Vol. 136, Issue 16
  • DOI: 10.1021/ja500742a

Complex Surface Chemistry of an Otherwise Inert Solvent Molecule: Tetrahydrofuran on Si(001)
journal, September 2014

  • Mette, Gerson; Reutzel, Marcel; Bartholomäus, Ruben
  • ChemPhysChem, Vol. 15, Issue 17
  • DOI: 10.1002/cphc.201402486

Dissociative Adsorption of Diethyl Ether on Si(001) Studied by Means of Scanning Tunneling Microscopy and Photoelectron Spectroscopy
journal, March 2015

  • Reutzel, Marcel; Mette, Gerson; Stromberger, Peter
  • The Journal of Physical Chemistry C, Vol. 119, Issue 11
  • DOI: 10.1021/jp511780p

Reactions of Nitromethane on Si(100):  First-Principles Predictions
journal, December 2000

  • Barriocanal, José A.; Doren, D. J.
  • The Journal of Physical Chemistry B, Vol. 104, Issue 51
  • DOI: 10.1021/jp0021695

Growth of silicon oxynitride films by atmospheric pressure plasma jet
journal, March 2014


Thermally Activated Reactions of Nitrobenzene at the Ge(100)-2 × 1 Surface
journal, August 2014

  • Shong, Bonggeun; Bent, Stacey F.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 50
  • DOI: 10.1021/jp505352k

Dehydrative Cyclocondensation Reactions on Hydrogen-Terminated Si(100) and Si(111): An ex Situ Tool for the Modification of Semiconductor Surfaces
journal, December 2008

  • Leftwich, Timothy R.; Madachik, Mark R.; Teplyakov, Andrew V.
  • Journal of the American Chemical Society, Vol. 130, Issue 48
  • DOI: 10.1021/ja802645t

Periodic Trends in Organic Functionalization of Group IV Semiconductor Surfaces
journal, February 2010

  • Kachian, Jessica S.; Wong, Keith T.; Bent, Stacey F.
  • Accounts of Chemical Research, Vol. 43, Issue 2
  • DOI: 10.1021/ar900251s

Adsorbate Alignment in Surface Halogenation: Standing Up is Better than Lying Down
journal, August 2012

  • Huang, Kai; McNab, Iain R.; Polanyi, John C.
  • Angewandte Chemie International Edition, Vol. 51, Issue 36
  • DOI: 10.1002/anie.201202772

Surface-mediated chain reaction through dissociative attachment
journal, December 2010

  • Lim, Tingbin; Polanyi, John C.; Guo, Hong
  • Nature Chemistry, Vol. 3, Issue 1
  • DOI: 10.1038/nchem.930

Molecular Dynamics of Localized Reaction, Experiment and Theory: Methyl Bromide on Si(111)-7×7
journal, April 2008

  • Guo, Hong; Ji, Wei; Polanyi, John C.
  • ACS Nano, Vol. 2, Issue 4
  • DOI: 10.1021/nn800017d

1,3-dipolar cycloadditions on Si(100)-2×1: Theoretical studies of novel attachment chemistry for organic monolayers
journal, July 2000

  • Barriocanal, José A.; Doren, D. J.
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 18, Issue 4
  • DOI: 10.1116/1.582454

X-ray photoelectron spectroscopy of nitromethane adsorption products on Si(100): A model for N 1s core-level shifts in silicon oxynitride films
journal, February 2004

  • Eng, J.; Hubner, I. A.; Barriocanal, J.
  • Journal of Applied Physics, Vol. 95, Issue 4
  • DOI: 10.1063/1.1639951

Nitro Group as a Means of Attaching Organic Molecules to Silicon:  Nitrobenzene on Si(100)-2 × 1
journal, April 2006

  • Méndez De Leo, Lucila P.; Teplyakov, Andrew V.
  • The Journal of Physical Chemistry B, Vol. 110, Issue 13
  • DOI: 10.1021/jp057415x

Reactions of Aromatic Bifunctional Molecules on Silicon Surfaces: Nitrosobenzene and Nitrobenzene
journal, March 2009

  • Perrine, Kathryn A.; Leftwich, Timothy R.; Weiland, Conan R.
  • The Journal of Physical Chemistry C, Vol. 113, Issue 16
  • DOI: 10.1021/jp8082826

Calibration of computationally predicted N 1s binding energies by comparison with X-ray photoelectron spectroscopy measurements
journal, December 2009

  • Leftwich, Timothy R.; Teplyakov, Andrew V.
  • Journal of Electron Spectroscopy and Related Phenomena, Vol. 175, Issue 1-3
  • DOI: 10.1016/j.elspec.2009.07.002

Nitroxidation of H-Terminated Si(111) Surfaces with Nitrobenzene and Nitrosobenzene
journal, December 2013

  • Tian, Fangyuan; Cui, Yuexing; Teplyakov, Andrew V.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 1
  • DOI: 10.1021/jp4102702

Adsorption and Thermal Chemistry of Nitroethane on Si(100)-2 × 1
journal, August 2003

  • Bocharov, Semyon; Mathauser, Anna T.; Teplyakov, Andrew V.
  • The Journal of Physical Chemistry B, Vol. 107, Issue 31
  • DOI: 10.1021/jp030162s

Adsorption, ordering, and chemistry of nitrobenzene on Si(100)-2×1
journal, December 2004


Molecular-Scale Structure of a Nitrobenzene Monolayer on Si(001)
journal, February 2011

  • Peng, Guowen; Seo, Soonjoo; Ruther, Rose E.
  • The Journal of Physical Chemistry C, Vol. 115, Issue 7
  • DOI: 10.1021/jp1069434

REACTIVITY OF THE GERMANIUM SURFACE: Chemical Passivation and Functionalization
journal, May 2006


Dipole-directed assembly of lines of 1,5-dichloropentane on silicon substrates by displacement of surface charge
journal, March 2008

  • Harikumar, K. R.; Lim, Tingbin; McNab, Iain R.
  • Nature Nanotechnology, Vol. 3, Issue 4
  • DOI: 10.1038/nnano.2008.65

Multiple Pathways of Dissociative Attachment: CH 3 Br on Si(100)-2×1
journal, August 2011

  • Lim, Ting Bin; McNab, Iain R.; Polanyi, John C.
  • Journal of the American Chemical Society, Vol. 133, Issue 30
  • DOI: 10.1021/ja201060z

Direct Work Function Measurement by Gas Phase Photoelectron Spectroscopy and Its Application on PbS Nanoparticles
journal, November 2013

  • Axnanda, Stephanus; Scheele, Marcus; Crumlin, Ethan
  • Nano Letters, Vol. 13, Issue 12
  • DOI: 10.1021/nl403524a

Electronic and chemical structure of the H2O/GaN(0001) interface under ambient conditions
journal, April 2016

  • Zhang, Xueqiang; Ptasinska, Sylwia
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep24848

Chemical Properties of Oxidized Silicon Carbide Surfaces upon Etching in Hydrofluoric Acid
journal, November 2009

  • Dhar, Sarit; Seitz, Oliver; Halls, Mathew D.
  • Journal of the American Chemical Society, Vol. 131, Issue 46
  • DOI: 10.1021/ja9053465

Low-Energy Electron-Induced Transformations in Organolead Halide Perovskite
journal, June 2016

  • Milosavljević, Aleksandar R.; Huang, Weixin; Sadhu, Subha
  • Angewandte Chemie International Edition, Vol. 55, Issue 34
  • DOI: 10.1002/anie.201605013

Electron interaction with nitromethane embedded in helium droplets: Attachment and ionization measurements
journal, November 2011

  • da Silva, F. Ferreira; Ptasińska, S.; Denifl, S.
  • The Journal of Chemical Physics, Vol. 135, Issue 17
  • DOI: 10.1063/1.3656680

Electron induced dissociation in condensed-phase nitromethane I: desorption of ionic fragments
journal, January 2009

  • Bazin, Marc; Ptasińska, Sylwia; Bass, Andrew D.
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 10
  • DOI: 10.1039/b814219j