One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range

Eren, Baran; Zherebetskyy, Danylo; Hao, Yibo; Patera, Laerte L.; Wang, Lin-Wang; Somorjai, Gabor A.; Salmeron, Miquel

doi:10.1016/j.susc.2016.04.016

Title: One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range

Authors:: Eren, Baran; Zherebetskyy, Danylo; Hao, Yibo; Patera, Laerte L.; Wang, Lin-Wang; Somorjai, Gabor A.; Salmeron, Miquel

Publication Date:: Thu Sep 01 00:00:00 EDT 2016

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1324338

Grant/Contract Number:: KC3101; AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Surface Science

Additional Journal Information:: Journal Name: Surface Science Journal Volume: 651 Journal Issue: C; Journal ID: ISSN 0039-6028

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Eren, Baran, Zherebetskyy, Danylo, Hao, Yibo, Patera, Laerte L., Wang, Lin-Wang, Somorjai, Gabor A., and Salmeron, Miquel. One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range.  Netherlands: N. p., 2016. 
Web.  doi:10.1016/j.susc.2016.04.016.

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                    Eren, Baran, Zherebetskyy, Danylo, Hao, Yibo, Patera, Laerte L., Wang, Lin-Wang, Somorjai, Gabor A., & Salmeron, Miquel. One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range.  Netherlands.  https://doi.org/10.1016/j.susc.2016.04.016

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                    Eren, Baran, Zherebetskyy, Danylo, Hao, Yibo, Patera, Laerte L., Wang, Lin-Wang, Somorjai, Gabor A., and Salmeron, Miquel. Thu .  
"One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range".  Netherlands.  https://doi.org/10.1016/j.susc.2016.04.016.

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@article{osti_1324338,

  title        = {One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range},

  author       = {Eren, Baran and Zherebetskyy, Danylo and Hao, Yibo and Patera, Laerte L. and Wang, Lin-Wang and Somorjai, Gabor A. and Salmeron, Miquel},

  abstractNote = {},

  doi          = {10.1016/j.susc.2016.04.016},

  journal      = {Surface Science},

  number       = C,

  volume       = 651,

  place        = {Netherlands},

  year         = {Thu Sep 01 00:00:00 EDT 2016},

  month        = {Thu Sep 01 00:00:00 EDT 2016}

}

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Works referenced in this record:

The ReactorSTM: Atomically resolved scanning tunneling microscopy under high-pressure, high-temperature catalytic reaction conditions
journal, August 2014

Herbschleb, C. T.; van der Tuijn, P. C.; Roobol, S. B.
Review of Scientific Instruments, Vol. 85, Issue 8
DOI: 10.1063/1.4891811

Bridging the Pressure Gap in Surface Science at the Atomic Level: $H / Cu (110)$
journal, January 2001

Österlund, L.; Rasmussen, P. B.; Thostrup, P.
Physical Review Letters, Vol. 86, Issue 3
DOI: 10.1103/PhysRevLett.86.460

Reactions at Surfaces: From Atoms to Complexity (Nobel Lecture)
journal, April 2008

Ertl, Gerhard
Angewandte Chemie International Edition, Vol. 47, Issue 19
DOI: 10.1002/anie.200800480

Theory and Application for the Scanning Tunneling Microscope
journal, June 1983

Tersoff, J.; Hamann, D. R.
Physical Review Letters, Vol. 50, Issue 25
DOI: 10.1103/PhysRevLett.50.1998

Methanol Synthesis and Reverse Water–Gas Shift Kinetics over Cu(110) Model Catalysts: Structural Sensitivity
journal, July 1996

Yoshihara, Jun; Campbell, Charles T.
Journal of Catalysis, Vol. 161, Issue 2
DOI: 10.1006/jcat.1996.0240

CO Oxidation as a Prototypical Reaction for Heterogeneous Processes
journal, September 2011

Freund, Hans-Joachim; Meijer, Gerard; Scheffler, Matthias
Angewandte Chemie International Edition, Vol. 50, Issue 43
DOI: 10.1002/anie.201101378

The 1986 Nobel Prize In Chemistry: The award honors three pioneers in the field of chemical reaction dynamics; their work has given rise to chemical lasers and offers the possibility of precisely guiding reactions
journal, November 1986

Waldrop, M. M.
Science, Vol. 234, Issue 4777
DOI: 10.1126/science.234.4777.673

On the structure of dense CO overlayers
journal, August 1988

Uvdal, P.; Karlsson, P. -A.; Nyberg, C.
Surface Science, Vol. 202, Issue 1-2
DOI: 10.1016/0039-6028(88)90067-2

Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption
journal, January 2016

Eren, B.; Zherebetskyy, D.; Patera, L. L.
Science, Vol. 351, Issue 6272
DOI: 10.1126/science.aad8868

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

The Water-Gas Shift Reaction
journal, January 1980

Newsome, David S.
Catalysis Reviews, Vol. 21, Issue 2, p. 275-318
DOI: 10.1080/03602458008067535

Adsorbate–adsorbate repulsions—the coverage dependence of the adsorption structure of CO on Cu(110) as studied by electron‐stimulated desorption ion angular distribution
journal, October 1996

Ahner, Joachim; Mocuta, Dan; Ramsier, R. D.
The Journal of Chemical Physics, Vol. 105, Issue 15
DOI: 10.1063/1.472464

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
Physical Review B, Vol. 57, Issue 3, p. 1505-1509
DOI: 10.1103/PhysRevB.57.1505

Heterogeneous Catalysis of CO ₂ Conversion to Methanol on Copper Surfaces
journal, October 2014

Behrens, Malte
Angewandte Chemie International Edition, Vol. 53, Issue 45
DOI: 10.1002/anie.201409282

Step dynamics on Ag(111) and Cu(100) surfaces
journal, August 1992

Poensgen, M.; Wolf, J. F.; Frohn, J.
Surface Science, Vol. 274, Issue 3
DOI: 10.1016/0039-6028(92)90848-Z

A new scanning tunneling microscope reactor used for high-pressure and high-temperature catalysis studies
journal, August 2008

Tao, Feng; Tang, David; Salmeron, Miquel
Review of Scientific Instruments, Vol. 79, Issue 8
DOI: 10.1063/1.2960569

The Active Site of Methanol Synthesis over Cu/ZnO/Al₂O₃ Industrial Catalysts
journal, April 2012

Behrens, M.; Studt, F.; Kasatkin, I.
Science, Vol. 336, Issue 6083, p. 893-897
DOI: 10.1126/science.1219831

CO adsorption isotherms on Cu(100) at elevated pressures and temperatures using infrared reflection absorption spectroscopy
journal, January 1992

Truong, Charles M.; Rodriguez, JoséA.; Goodman, D. W.
Surface Science, Vol. 271, Issue 3
DOI: 10.1016/0039-6028(92)90896-E

Van der Waals Density Functional for General Geometries
journal, June 2004

Dion, M.; Rydberg, H.; Schröder, E.
Physical Review Letters, Vol. 92, Issue 24
DOI: 10.1103/PhysRevLett.92.246401

Catalyst Chemical State during CO Oxidation Reaction on Cu(111) Studied with Ambient-Pressure X-ray Photoelectron Spectroscopy and Near Edge X-ray Adsorption Fine Structure Spectroscopy
journal, August 2015

Eren, Baran; Heine, Christian; Bluhm, Hendrik
Journal of the American Chemical Society, Vol. 137, Issue 34
DOI: 10.1021/jacs.5b07451

A variable pressure/temperature scanning tunneling microscope for surface science and catalysis studies
journal, March 1993

McIntyre, B. J.; Salmeron, M.; Somorjai, G. A.
Review of Scientific Instruments, Vol. 64, Issue 3
DOI: 10.1063/1.1144198

Break-Up of Stepped Platinum Catalyst Surfaces by High CO Coverage
journal, February 2010

Tao, F.; Dag, S.; Wang, L. -W.
Science, Vol. 327, Issue 5967
DOI: 10.1126/science.1182122

A high-pressure scanning tunneling microscope
journal, September 2001

Laegsgaard, E.; Österlund, L.; Thostrup, P.
Review of Scientific Instruments, Vol. 72, Issue 9
DOI: 10.1063/1.1389497

Reaction of CO with Preadsorbed Oxygen on Low-Index Copper Surfaces: An Ambient Pressure X-ray Photoelectron Spectroscopy and Scanning Tunneling Microscopy Study
journal, March 2015

Eren, Baran; Lichtenstein, Leonid; Wu, Cheng Hao
The Journal of Physical Chemistry C, Vol. 119, Issue 26
DOI: 10.1021/jp512831f

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
journal, August 2009

Román-Pérez, Guillermo; Soler, José M.
Physical Review Letters, Vol. 103, Issue 9
DOI: 10.1103/PhysRevLett.103.096102

STM studies of oxygen-induced structures and nitrogen coadsorption on the Cu(100) surface: evidence for a one-dimensional oxygen reconstruction and reconstructive interactions
journal, August 1995

Leibsle, F. M.
Surface Science, Vol. 337, Issue 1-2
DOI: 10.1016/0039-6028(95)00519-6

Towards Oil Independence Through Renewable Methanol Chemistry
journal, December 2012

Olah, George A.
Angewandte Chemie International Edition, Vol. 52, Issue 1
DOI: 10.1002/anie.201204995

Methanol synthesis on a Cu(100) catalyst
journal, January 1991

Szanyi, J�nos; Goodman, D. Wayne
Catalysis Letters, Vol. 10, Issue 5-6
DOI: 10.1007/BF00769173

The structure and reactivity of surfaces revealed by scanning tunneling microscopy
journal, July 2012

Besenbacher, Flemming; Thostrup, Peter; Salmeron, Miquel
MRS Bulletin, Vol. 37, Issue 7
DOI: 10.1557/mrs.2012.142

Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study
journal, June 2008

Vanpoucke, Danny E. P.; Brocks, Geert
Physical Review B, Vol. 77, Issue 24, Article No. 241308
DOI: 10.1103/PhysRevB.77.241308

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Title: One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range

Citation Formats

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Heterogeneous Catalysis of CO 2 Conversion to Methanol on Copper Surfaces journal, October 2014

Step dynamics on Ag(111) and Cu(100) surfaces journal, August 1992

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The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts journal, April 2012

CO adsorption isotherms on Cu(100) at elevated pressures and temperatures using infrared reflection absorption spectroscopy journal, January 1992

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Catalyst Chemical State during CO Oxidation Reaction on Cu(111) Studied with Ambient-Pressure X-ray Photoelectron Spectroscopy and Near Edge X-ray Adsorption Fine Structure Spectroscopy journal, August 2015

A variable pressure/temperature scanning tunneling microscope for surface science and catalysis studies journal, March 1993

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STM studies of oxygen-induced structures and nitrogen coadsorption on the Cu(100) surface: evidence for a one-dimensional oxygen reconstruction and reconstructive interactions journal, August 1995

Towards Oil Independence Through Renewable Methanol Chemistry journal, December 2012

Methanol synthesis on a Cu(100) catalyst journal, January 1991

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Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study journal, June 2008

The ReactorSTM: Atomically resolved scanning tunneling microscopy under high-pressure, high-temperature catalytic reaction conditions
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Reactions at Surfaces: From Atoms to Complexity (Nobel Lecture)
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Methanol Synthesis and Reverse Water–Gas Shift Kinetics over Cu(110) Model Catalysts: Structural Sensitivity
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CO Oxidation as a Prototypical Reaction for Heterogeneous Processes
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The 1986 Nobel Prize In Chemistry: The award honors three pioneers in the field of chemical reaction dynamics; their work has given rise to chemical lasers and offers the possibility of precisely guiding reactions
journal, November 1986

On the structure of dense CO overlayers
journal, August 1988

Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption
journal, January 2016

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

The Water-Gas Shift Reaction
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Adsorbate–adsorbate repulsions—the coverage dependence of the adsorption structure of CO on Cu(110) as studied by electron‐stimulated desorption ion angular distribution
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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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Step dynamics on Ag(111) and Cu(100) surfaces
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A new scanning tunneling microscope reactor used for high-pressure and high-temperature catalysis studies
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journal, March 2015

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journal, July 2012

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