skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on February 20, 2021

Title: Molecular chemisorption of N 2 on IrO 2 (110)

Authors:
 [1];  [2]; ORCiD logo [1];  [1];  [1];  [3]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemical Engineering, University of Florida, Gainesville, Florida 32611, USA
  2. William G. Lowrie Chemical and Biomolecular Engineering, The Ohio State University, Columbus, Ohio 43210, USA
  3. ExxonMobil Research and Engineering, Annandale, New Jersey 08801, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1600848
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 7; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Martin, R., Kim, M., Lee, C. J., Shariff, M. S., Feng, F., Meyer, R. J., Asthagiri, A., and Weaver, J. F. Molecular chemisorption of N 2 on IrO 2 (110). United States: N. p., 2020. Web. doi:10.1063/1.5142210.
Martin, R., Kim, M., Lee, C. J., Shariff, M. S., Feng, F., Meyer, R. J., Asthagiri, A., & Weaver, J. F. Molecular chemisorption of N 2 on IrO 2 (110). United States. doi:10.1063/1.5142210.
Martin, R., Kim, M., Lee, C. J., Shariff, M. S., Feng, F., Meyer, R. J., Asthagiri, A., and Weaver, J. F. Fri . "Molecular chemisorption of N 2 on IrO 2 (110)". United States. doi:10.1063/1.5142210.
@article{osti_1600848,
title = {Molecular chemisorption of N 2 on IrO 2 (110)},
author = {Martin, R. and Kim, M. and Lee, C. J. and Shariff, M. S. and Feng, F. and Meyer, R. J. and Asthagiri, A. and Weaver, J. F.},
abstractNote = {},
doi = {10.1063/1.5142210},
journal = {Journal of Chemical Physics},
number = 7,
volume = 152,
place = {United States},
year = {2020},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 20, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Pathways for C–H bond cleavage of propane σ-complexes on PdO(101)
journal, January 2012

  • Antony, Abbin; Asthagiri, Aravind; Weaver, Jason F.
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 35
  • DOI: 10.1039/c2cp41900a

Dissociative Chemisorption and Oxidation of H2 on the Stoichiometric IrO2(110) Surface
journal, December 2017


The X-ray photoelectron spectra of Ir, IrO 2 and IrCl 3 revisited: The X-ray photoelectron spectra of Ir, IrO 2 and IrCl 3 revisited
journal, March 2017

  • Freakley, S. J.; Ruiz-Esquius, J.; Morgan, D. J.
  • Surface and Interface Analysis, Vol. 49, Issue 8
  • DOI: 10.1002/sia.6225

Hydrogen oxidation on oxygen-rich IrO 2 (110)
journal, October 2018


Structure and reactivity of iridium oxide layers grown on Ir(1 0 0) by oxidation at sub-ambient O 2 pressures
journal, August 2019

  • Bian, Yingxue; Li, Tao; Weaver, Jason F.
  • Journal of Physics D: Applied Physics, Vol. 52, Issue 43
  • DOI: 10.1088/1361-6463/ab32cc

Pathways and kinetics of methane and ethane C–H bond cleavage on PdO(101)
journal, September 2013

  • Antony, Abbin; Asthagiri, Aravind; Weaver, Jason F.
  • The Journal of Chemical Physics, Vol. 139, Issue 10
  • DOI: 10.1063/1.4819909

n-alkanes on Pt(111) and on C(0001)∕Pt(111): Chain length dependence of kinetic desorption parameters
journal, December 2006

  • Tait, Steven L.; Dohnálek, Zdenek; Campbell, Charles T.
  • The Journal of Chemical Physics, Vol. 125, Issue 23
  • DOI: 10.1063/1.2400235

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding
journal, February 2016

  • Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L.
  • Journal of Computational Chemistry, Vol. 37, Issue 11
  • DOI: 10.1002/jcc.24300

Ab initio Hellmann-Feynman molecular dynamics for liquid metals
journal, May 1993


n-alkanes on MgO(100). II. Chain length dependence of kinetic desorption parameters for small n-alkanes
journal, April 2005

  • Tait, Steven L.; Dohnálek, Zdenek; Campbell, Charles T.
  • The Journal of Chemical Physics, Vol. 122, Issue 16
  • DOI: 10.1063/1.1883630

Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)
journal, August 2018


Growth and termination of a rutile IrO2(100) layer on Ir(111)
journal, October 2016


Facile Dehydrogenation of Ethane on the IrO 2 (110) Surface
journal, February 2018

  • Bian, Yingxue; Kim, Minkyu; Li, Tao
  • Journal of the American Chemical Society, Vol. 140, Issue 7
  • DOI: 10.1021/jacs.7b13599

The structure-sensitive adsorption of N2 on the (1 × 1) and (5 × 1) surfaces of Ir{100}
journal, May 1993


A Comparison of N 2 and CO Adsorption on Ru(001)
journal, January 1997


Adsorption and Oxidation of CH 4 on Oxygen-Rich IrO 2 (110)
journal, October 2019

  • Kim, M.; Franklin, A.; Martin, R.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 45
  • DOI: 10.1021/acs.jpcc.9b08215

Adsorption of small hydrocarbons on rutile TiO2(110)
journal, August 2016


Surface Chemistry of Late Transition Metal Oxides
journal, December 2012


Adsorption and abstraction of oxygen atoms on Pd(111): Characterization of the precursor to PdO formation
journal, April 2008


Nitrogen Adsorption and Dissociation on Fe(111)
journal, March 1999

  • Mortensen, J. J.; Hansen, L. B.; Hammer, B.
  • Journal of Catalysis, Vol. 182, Issue 2
  • DOI: 10.1006/jcat.1998.2364

A DFT study of ethane activation on IrO 2 (110) surface by precursor-mediated mechanism
journal, July 2017


Characterization of Various Oxygen Species on an Oxide Surface:  RuO 2 (110)
journal, May 2001

  • Kim, Y. D.; Seitsonen, A. P.; Wendt, S.
  • The Journal of Physical Chemistry B, Vol. 105, Issue 18
  • DOI: 10.1021/jp003213j

Density Functional Theory Study of NH x ( x = 0−3) and N 2 Adsorption on IrO 2 (110) Surfaces
journal, October 2010

  • Wang, Chia-Ching; Siao, Shih Syong; Jiang, Jyh-Chiang
  • The Journal of Physical Chemistry C, Vol. 114, Issue 43
  • DOI: 10.1021/jp1067846

n-alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane
journal, April 2005

  • Tait, Steven L.; Dohnálek, Zdenek; Campbell, Charles T.
  • The Journal of Chemical Physics, Vol. 122, Issue 16
  • DOI: 10.1063/1.1883629

Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
journal, August 1993

  • Dronskowski, Richard; Bloechl, Peter E.
  • The Journal of Physical Chemistry, Vol. 97, Issue 33
  • DOI: 10.1021/j100135a014

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
journal, September 2013

  • Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L.
  • Journal of Computational Chemistry, Vol. 34, Issue 29
  • DOI: 10.1002/jcc.23424

Density Functional Theory Study of the Oxidation of Ammonia on the IrO 2 (110) Surface
journal, December 2011

  • Wang, Chia-Ching; Siao, Shih Syong; Jiang, Jyh-Chiang
  • Langmuir, Vol. 27, Issue 23
  • DOI: 10.1021/la203339z

Methanol oxidation on stoichiometric and oxygen-rich RuO 2 (110)
journal, January 2017

  • Rai, Rahul; Weaver, Jason F.
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 29
  • DOI: 10.1039/c7cp03143b

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
journal, June 2011

  • Deringer, Volker L.; Tchougréeff, Andrei L.; Dronskowski, Richard
  • The Journal of Physical Chemistry A, Vol. 115, Issue 21
  • DOI: 10.1021/jp202489s

C–H Bond Activation of Methane via σ–d Interaction on the IrO 2 (110) Surface: Density Functional Theory Study
journal, March 2012

  • Wang, Chia-Ching; Siao, Shih Syong; Jiang, Jyh-Chiang
  • The Journal of Physical Chemistry C, Vol. 116, Issue 10
  • DOI: 10.1021/jp300689j

Adsorption and Oxidation of n -Butane on the Stoichiometric RuO 2 (110) Surface
journal, April 2016


Low-temperature activation of methane on the IrO 2 (110) surface
journal, April 2017


Oxidation of Nitrided Si(100) by Gaseous Atomic and Molecular Oxygen
journal, April 2005

  • Gerrard, Alex L.; Chen, Jau-Jiun; Weaver, Jason F.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 16
  • DOI: 10.1021/jp044434i

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

  • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides
journal, June 2018

  • Tsuji, Yuta; Yoshizawa, Kazunari
  • The Journal of Physical Chemistry C, Vol. 122, Issue 27
  • DOI: 10.1021/acs.jpcc.8b03184

Oxidation of a Tb 2 O 3 (111) Thin Film on Pt(111) by Gas-Phase Oxygen Atoms
journal, August 2014

  • Cartas, William; Rai, Rahul; Sathe, Ajinkya
  • The Journal of Physical Chemistry C, Vol. 118, Issue 36
  • DOI: 10.1021/jp505310y

Adsorption and Oxidation of Ethylene on the Stoichiometric and O-Rich RuO 2 (110) Surfaces
journal, September 2017

  • Liang, Zhu; Kim, Minkyu; Li, Tao
  • The Journal of Physical Chemistry C, Vol. 121, Issue 37
  • DOI: 10.1021/acs.jpcc.7b06865

Template-Assisted Growth of Ultrathin Single-Crystalline IrO 2 (110) Films on RuO 2 (110)/Ru(0001) and Its Thermal Stability
journal, May 2018

  • Abb, Marcel J. S.; Herd, Benjamin; Over, Herbert
  • The Journal of Physical Chemistry C, Vol. 122, Issue 26
  • DOI: 10.1021/acs.jpcc.8b04375