Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation

Lee, Minyoung; McGaughey, Alan J. H.

doi:10.1103/PhysRevB.83.165447

Title: Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation

Authors:: Lee, Minyoung; McGaughey, Alan J. H.

Publication Date:: Fri Apr 29 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1100356

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 83 Journal Issue: 16; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Lee, Minyoung, and McGaughey, Alan J. H. Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.83.165447.

Copy to clipboard


                    Lee, Minyoung, & McGaughey, Alan J. H. Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation.  United States.  https://doi.org/10.1103/PhysRevB.83.165447

Copy to clipboard


                    Lee, Minyoung, and McGaughey, Alan J. H. Fri .  
"Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation".  United States.  https://doi.org/10.1103/PhysRevB.83.165447.

Copy to clipboard


                    
@article{osti_1100356,

  title        = {Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation},

  author       = {Lee, Minyoung and McGaughey, Alan J. H.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.83.165447},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 16,

  volume       = 83,

  place        = {United States},

  year         = {Fri Apr 29 00:00:00 EDT 2011},

  month        = {Fri Apr 29 00:00:00 EDT 2011}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.83.165447

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 17 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100)
journal, November 1986

Voter, Arthur F.
Physical Review B, Vol. 34, Issue 10
DOI: 10.1103/PhysRevB.34.6819

Electronic structure of Cu(100)–O surface: angle-resolved photoemission spectroscopy and tight-binding calculation
journal, December 2000

Sekiba, Daiichiro; Inokuchi, Tamami; Wakimoto, Yasushi
Surface Science, Vol. 470, Issue 1-2
DOI: 10.1016/S0039-6028(00)00836-0

Energetics of oxygen embedment into unreconstructed and reconstructed Cu(100) surfaces: Density functional theory calculations
journal, December 2009

Lee, Minyoung; McGaughey, Alan J. H.
Surface Science, Vol. 603, Issue 24
DOI: 10.1016/j.susc.2009.10.002

Oxygen adsorption on Cu(100): First-principles pseudopotential calculations
journal, December 2004

Alatalo, M.; Jaatinen, S.; Salo, P.
Physical Review B, Vol. 70, Issue 24
DOI: 10.1103/PhysRevB.70.245417

Adsorption of oxygen on Cu(100). I. Local structure and dynamics for two atomic chemisorption states
journal, November 1993

Lederer, T.; Arvanitis, D.; Comelli, G.
Physical Review B, Vol. 48, Issue 20
DOI: 10.1103/PhysRevB.48.15390

Temperature dependence of island growth shapes during submonolayer deposition of $Ag$ on $Ag (111)$
journal, March 2005

Cox, Erik; Li, Maozhi; Chung, Po-Wen
Physical Review B, Vol. 71, Issue 11
DOI: 10.1103/PhysRevB.71.115414

Development of transition-state theory
journal, July 1983

Laidler, Keith J.; King, M. Christine
The Journal of Physical Chemistry, Vol. 87, Issue 15
DOI: 10.1021/j100238a002

Local aspects of the adsorbate-substrate chemical bond in N/Cu(100) and O/Cu(100)
journal, July 1998

Wiell, T.; Klepeis, J. E.; Bennich, P.
Physical Review B, Vol. 58, Issue 3
DOI: 10.1103/PhysRevB.58.1655

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

Dynamics of oxygen-induced reconstruction of Cu(100) studied by scanning tunneling microscopy
journal, November 1990

Jensen, F.; Besenbacher, F.; Laegsgaard, E.
Physical Review B, Vol. 42, Issue 14
DOI: 10.1103/PhysRevB.42.9206

Role of Long Range Interaction in Oxygen Superstructure Formation on Cu(001) and Ni(001)
journal, August 2002

Stolbov, Sergey; Rahman, Talat S.
Physical Review Letters, Vol. 89, Issue 11
DOI: 10.1103/PhysRevLett.89.116101

Temperature effect on the Cu2O oxide morphology created by oxidation of Cu(0 0 1) as investigated by in situ UHV TEM
journal, April 2003

Zhou, Guangwen; Yang, Judith C.
Applied Surface Science, Vol. 210, Issue 3-4
DOI: 10.1016/S0169-4332(03)00159-4

Oxygen adsorption-induced nanostructures and island formation on Cu{100}: Bridging the gap between the formation of surface confined oxygen chemisorption layer and oxide formation
journal, September 2008

Lahtonen, K.; Hirsimäki, M.; Lampimäki, M.
The Journal of Chemical Physics, Vol. 129, Issue 12
DOI: 10.1063/1.2980347

The Homogeneous Nucleation Mechanism of Cu2O on Cu(001)
journal, March 1998

Yang, J. C.; Yeadon, M.; Kolasa, B.
Scripta Materialia, Vol. 38, Issue 8
DOI: 10.1016/S1359-6462(98)00026-8

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

Nucleation and growth of thin films
journal, April 1984

Venables, J. A.; Spiller, G. D. T.; Hanbucken, M.
Reports on Progress in Physics, Vol. 47, Issue 4
DOI: 10.1088/0034-4885/47/4/002

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994

Kresse, G.; Hafner, J.
Journal of Physics: Condensed Matter, Vol. 6, Issue 40
DOI: 10.1088/0953-8984/6/40/015

Comparison of methods for finding saddle points without knowledge of the final states
journal, November 2004

Olsen, R. A.; Kroes, G. J.; Henkelman, G.
The Journal of Chemical Physics, Vol. 121, Issue 20
DOI: 10.1063/1.1809574

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

Monte Carlo studies of vacancy migration in binary ordered alloys: I
journal, November 1966

Young, W. M.; Elcock, E. W.
Proceedings of the Physical Society, Vol. 89, Issue 3
DOI: 10.1088/0370-1328/89/3/329

Density functional study of oxygen on Cu(100) and Cu(110) surfaces
journal, February 2010

Duan, X.; Warschkow, O.; Soon, A.
Physical Review B, Vol. 81, Issue 7
DOI: 10.1103/PhysRevB.81.075430

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Kresse, G.; Hafner, J.
Physical Review B, Vol. 49, Issue 20, p. 14251-14269
DOI: 10.1103/PhysRevB.49.14251

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992

Perdew, John P.; Chevary, J. A.; Vosko, S. H.
Physical Review B, Vol. 46, Issue 11
DOI: 10.1103/PhysRevB.46.6671

The Activated Complex in Chemical Reactions
journal, February 1935

Eyring, Henry
The Journal of Chemical Physics, Vol. 3, Issue 2
DOI: 10.1063/1.1749604

Electronic structure of the $c (2 \times 2) O / Cu (001)$ system
journal, December 2002

Stolbov, Sergey; Kara, Abdelkader; Rahman, Talat S.
Physical Review B, Vol. 66, Issue 24
DOI: 10.1103/PhysRevB.66.245405

Nanoscale oxidation of Cu(100): Oxide morphology and surface reactivity
journal, January 2007

Lampimäki, M.; Lahtonen, K.; Hirsimäki, M.
The Journal of Chemical Physics, Vol. 126, Issue 3
DOI: 10.1063/1.2424932

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Kresse, G.; Hafner, J.
Physical Review B, Vol. 47, Issue 1, p. 558-561
DOI: 10.1103/PhysRevB.47.558

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
DOI: 10.1063/1.1329672

Adsorbate-induced surface reconstruction and surface-stress changes in $Cu (100) ∕ O$ : Experiment and theory
journal, October 2006

Harrison, M. J.; Woodruff, D. P.; Robinson, J.
Physical Review B, Vol. 74, Issue 16
DOI: 10.1103/PhysRevB.74.165402

Structure and dynamics of the missing-row reconstruction on O/Cu(001) and O/Ag(001)
journal, December 2006

Bonini, N.; Kokalj, A.; Dal Corso, A.
Surface Science, Vol. 600, Issue 23
DOI: 10.1016/j.susc.2006.08.031

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000

Henkelman, Graeme; Jónsson, Hannes
The Journal of Chemical Physics, Vol. 113, Issue 22
DOI: 10.1063/1.1323224

Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfaces
journal, October 1990

Jacobsen, K. W.; No?rskov, J. K.
Physical Review Letters, Vol. 65, Issue 14
DOI: 10.1103/PhysRevLett.65.1788

Chapter 13 Density-functional theory of epitaxial growth of metals
book, January 1997

Ruggerone, P.; Ratsch, C.; Scheffler, M.
Growth and Properties of Ultrathin Epitaxial Layers
DOI: 10.1016/S1571-0785(97)80016-8

Phase boundaries of nanometer scale c (2×2)-O domains on the Cu(100) surface
journal, July 1996

Fujita, Takaya; Okawa, Yuji; Matsumoto, Yuji
Physical Review B, Vol. 54, Issue 3
DOI: 10.1103/PhysRevB.54.2167

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

Ab initio calculations on the Al2O3(0001) surface
journal, January 1999

Batyrev, Iskander; Alavi, Ali; Finnis, Michael W.
Faraday Discussions, Vol. 114
DOI: 10.1039/a903278i

Adsorption and diffusion dynamics of atomic and molecular oxygen on reconstructed Cu(100)
journal, February 2007

Jaatinen, S.; Blomqvist, J.; Salo, P.
Physical Review B, Vol. 75, Issue 7
DOI: 10.1103/PhysRevB.75.075402

The structure of oxygen on Cu(100) at low and high coverages
journal, January 2001

Kittel, M.; Polcik, M.; Terborg, R.
Surface Science, Vol. 470, Issue 3
DOI: 10.1016/S0039-6028(00)00873-6

Order-disorder phase transition of the Cu(001) surface under equilibrium oxygen pressure
journal, December 2007

Iddir, H.; Fong, D. D.; Zapol, P.
Physical Review B, Vol. 76, Issue 24
DOI: 10.1103/PhysRevB.76.241404

A LEED crystallographic investigation of some missing row models for the Cu(100)-(2√2 × √2)R45°-O surface structure
journal, January 1989

Zeng, H. C.; McFarlane, R. A.; Mitchell, K. A. R.
Surface Science, Vol. 208, Issue 1-2
DOI: 10.1016/0039-6028(89)90023-X

Role of sub-surface oxygen in Cu(100) oxidation
journal, August 2010

Lee, Minyoung; McGaughey, Alan J. H.
Surface Science, Vol. 604, Issue 17-18
DOI: 10.1016/j.susc.2010.05.004

Similar Records in DOE PAGES and OSTI.GOV collections:

Nanoscale duplex oxide growth during early stages of oxidation of Cu-Ni(100)

Journal Article Guangwen, Zhou ; Fong, Dillon D ; Fuoss, Paul H ; ... - Physical Review. B, Condensed Matter and Materials Physics

A combination of real-time in situ synchrotron x-ray diffraction and ex situ transmission electron microscopy is utilized to investigate the early stages of oxidation of Cu-Ni(100). Sequential formation of NiO and Cu{sub 2}O oxides was observed by increasing oxygen partial pressure, and the Cu{sub 2}O phase was identified to form preferentially on top of NiO nanoislands. The origin of this unexpected phenomenon is attributed to localized enrichment of Cu atoms accompanied with NiO growth, which thermodynamically drives the nanoscale Cu{sub 2}O/NiO duplex oxide growth.
https://doi.org/10.1103/PHYSREVB.80.134106
Nanoscale duplex oxide growth during early stages of oxidation of Cu-Ni(100).

Journal Article Zhou, G ; Fong, D D ; Wang, L ; ... - Phys. Rev. B

A combination of real-time in situ synchrotron x-ray diffraction and ex situ transmission electron microscopy is utilized to investigate the early stages of oxidation of Cu-Ni(100). Sequential formation of NiO and Cu{sub 2}O oxides was observed by increasing oxygen partial pressure, and the Cu{sub 2}O phase was identified to form preferentially on top of NiO nanoislands. The origin of this unexpected phenomenon is attributed to localized enrichment of Cu atoms accompanied with NiO growth, which thermodynamically drives the nanoscale Cu{sub 2}O/NiO duplex oxide growth.
https://doi.org/10.1103/PhysRevB.80.134106
The Relationship Between the Growth Shape of Three-Dimensional Pb Islands on Cu(100) and the Domain Orientation of the Underlying c(5v2xv2)R45 Degree Structure

Journal Article KELLOGG, GARY LEE ; PLASS, RICHARD A - Surface Science Letters

The authors use low energy electron microscopy to identify a correlation between the growth shape of three-dimensional Pb islands on Cu(100)and the domain structure of the underlying Pb overlayer. Deposition of 0.6 monolayer Pb on Cu(100) produces a compressed c(2x2) overlayer, designated c(5{radical}2x{radical}2)R45{degree}, with periodic rows of anti-phase boundaries. They found that heating the surface to temperatures above 100 C coarsens the orientational domains of this structure to sizes that are easily resolved in the low energy electron microscope. Three-dimensional Pb islands, grown on the coarsened domains, are found to be asymmetric with orientations that correlate with the domain structure.more »« less
https://doi.org/10.1016/S0039-6028(00)00784-6

Full Text Available
Effect of gold composition on the orientations of oxide nuclei during the early stage oxidation of Cu-Au alloys

Journal Article Langli, Luo ; Guangwen, Zhou ; Yihong, Kang ; ... - Journal of Applied Physics

In situ environmental transmission electron microscopy is employed to study the effect of Au composition in Cu-Au alloys on the orientations of oxide islands during the initial-stage oxidation of Cu-Au(100) alloys. An orientation transition from nucleating epitaxial Cu{sub 2}O islands to randomly oriented oxide islands is observed upon increasing the oxygen gas pressure. By increasing the Au composition in the Cu-Au alloys, both the oxide nucleation time and saturation density of oxide islands increase, but the critical oxygen pressure leading to nucleating randomly oriented Cu{sub 2}O islands decreases. It is shown by a kinetic model that such a dependence ofmore »« less
https://doi.org/10.1063/1.4707929
Nucleation and growth of oxide islands during the initial-stage oxidation of (100)Cu-Pt alloys

Journal Article Luo, Langli ; Zhou, Guangwen ; Kang, Yihong ; ... - Journal of Applied Physics

The initial-stage oxidation of (100) Cu-Pt alloys has been examined by in situ environmental transmission electron microscopy and ex situ atomic force microscopy (AFM). It is shown that the oxidation proceeds via the nucleation and growth of Cu{sub 2}O islands that show dependence on the alloy composition and oxidation temperature. The kinetic measurements on the oxide nucleation reveal that both the nucleation density and surface coverage of Cu{sub 2}O islands can be promoted by alloying more Pt in the Cu-Pt alloys. Increasing the oxidation temperature above 700 °C results in the growth of large Cu{sub 2}O islands that transits to amore »« less
https://doi.org/10.1063/1.4907801

Similar Records

Title: Energetics and kinetics of the c(2×2) to (2√2×√2)R45° transition during the early stages of Cu(100) oxidation

Citation Formats

Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100) journal, November 1986

Electronic structure of Cu(100)–O surface: angle-resolved photoemission spectroscopy and tight-binding calculation journal, December 2000

Energetics of oxygen embedment into unreconstructed and reconstructed Cu(100) surfaces: Density functional theory calculations journal, December 2009

Oxygen adsorption on Cu(100): First-principles pseudopotential calculations journal, December 2004

Adsorption of oxygen on Cu(100). I. Local structure and dynamics for two atomic chemisorption states journal, November 1993

Temperature dependence of island growth shapes during submonolayer deposition of Ag on Ag ( 111 ) journal, March 2005

Development of transition-state theory journal, July 1983

Local aspects of the adsorbate-substrate chemical bond in N/Cu(100) and O/Cu(100) journal, July 1998

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Dynamics of oxygen-induced reconstruction of Cu(100) studied by scanning tunneling microscopy journal, November 1990

Role of Long Range Interaction in Oxygen Superstructure Formation on Cu(001) and Ni(001) journal, August 2002

Temperature effect on the Cu2O oxide morphology created by oxidation of Cu(0 0 1) as investigated by in situ UHV TEM journal, April 2003

Oxygen adsorption-induced nanostructures and island formation on Cu{100}: Bridging the gap between the formation of surface confined oxygen chemisorption layer and oxide formation journal, September 2008

The Homogeneous Nucleation Mechanism of Cu2O on Cu(001) journal, March 1998

Special points for Brillouin-zone integrations journal, June 1976

Nucleation and growth of thin films journal, April 1984

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements journal, October 1994

Comparison of methods for finding saddle points without knowledge of the final states journal, November 2004

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

Monte Carlo studies of vacancy migration in binary ordered alloys: I journal, November 1966

Density functional study of oxygen on Cu(100) and Cu(110) surfaces journal, February 2010

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal, May 1994

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation journal, September 1992

The Activated Complex in Chemical Reactions journal, February 1935

Electronic structure of the c ( 2 × 2 ) O / Cu ( 001 ) system journal, December 2002

Nanoscale oxidation of Cu(100): Oxide morphology and surface reactivity journal, January 2007

Ab initiomolecular dynamics for liquid metals journal, January 1993

A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal, December 2000

Adsorbate-induced surface reconstruction and surface-stress changes in Cu ( 100 ) ∕ O : Experiment and theory journal, October 2006

Structure and dynamics of the missing-row reconstruction on O/Cu(001) and O/Ag(001) journal, December 2006

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points journal, December 2000

Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfaces journal, October 1990

Chapter 13 Density-functional theory of epitaxial growth of metals book, January 1997

Phase boundaries of nanometer scale c (2×2)-O domains on the Cu(100) surface journal, July 1996

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

Ab initio calculations on the Al2O3(0001) surface journal, January 1999

Adsorption and diffusion dynamics of atomic and molecular oxygen on reconstructed Cu(100) journal, February 2007

The structure of oxygen on Cu(100) at low and high coverages journal, January 2001

Order-disorder phase transition of the Cu(001) surface under equilibrium oxygen pressure journal, December 2007

A LEED crystallographic investigation of some missing row models for the Cu(100)-(2√2 × √2)R45°-O surface structure journal, January 1989

Role of sub-surface oxygen in Cu(100) oxidation journal, August 2010

Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100)
journal, November 1986

Electronic structure of Cu(100)–O surface: angle-resolved photoemission spectroscopy and tight-binding calculation
journal, December 2000

Energetics of oxygen embedment into unreconstructed and reconstructed Cu(100) surfaces: Density functional theory calculations
journal, December 2009

Oxygen adsorption on Cu(100): First-principles pseudopotential calculations
journal, December 2004

Adsorption of oxygen on Cu(100). I. Local structure and dynamics for two atomic chemisorption states
journal, November 1993

Temperature dependence of island growth shapes during submonolayer deposition of $Ag$ on $Ag (111)$
journal, March 2005

Development of transition-state theory
journal, July 1983

Local aspects of the adsorbate-substrate chemical bond in N/Cu(100) and O/Cu(100)
journal, July 1998

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Dynamics of oxygen-induced reconstruction of Cu(100) studied by scanning tunneling microscopy
journal, November 1990

Role of Long Range Interaction in Oxygen Superstructure Formation on Cu(001) and Ni(001)
journal, August 2002

Temperature effect on the Cu2O oxide morphology created by oxidation of Cu(0 0 1) as investigated by in situ UHV TEM
journal, April 2003

Oxygen adsorption-induced nanostructures and island formation on Cu{100}: Bridging the gap between the formation of surface confined oxygen chemisorption layer and oxide formation
journal, September 2008

The Homogeneous Nucleation Mechanism of Cu2O on Cu(001)
journal, March 1998

Special points for Brillouin-zone integrations
journal, June 1976

Nucleation and growth of thin films
journal, April 1984

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994

Comparison of methods for finding saddle points without knowledge of the final states
journal, November 2004

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

Monte Carlo studies of vacancy migration in binary ordered alloys: I
journal, November 1966

Density functional study of oxygen on Cu(100) and Cu(110) surfaces
journal, February 2010

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992

The Activated Complex in Chemical Reactions
journal, February 1935

Electronic structure of the $c (2 \times 2) O / Cu (001)$ system
journal, December 2002

Nanoscale oxidation of Cu(100): Oxide morphology and surface reactivity
journal, January 2007

Ab initiomolecular dynamics for liquid metals
journal, January 1993

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

Adsorbate-induced surface reconstruction and surface-stress changes in $Cu (100) ∕ O$ : Experiment and theory
journal, October 2006

Structure and dynamics of the missing-row reconstruction on O/Cu(001) and O/Ag(001)
journal, December 2006

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000

Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfaces
journal, October 1990

Chapter 13 Density-functional theory of epitaxial growth of metals
book, January 1997

Phase boundaries of nanometer scale c (2×2)-O domains on the Cu(100) surface
journal, July 1996

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

Ab initio calculations on the Al2O3(0001) surface
journal, January 1999

Adsorption and diffusion dynamics of atomic and molecular oxygen on reconstructed Cu(100)
journal, February 2007

The structure of oxygen on Cu(100) at low and high coverages
journal, January 2001

Order-disorder phase transition of the Cu(001) surface under equilibrium oxygen pressure
journal, December 2007

A LEED crystallographic investigation of some missing row models for the Cu(100)-(2√2 × √2)R45°-O surface structure
journal, January 1989

Role of sub-surface oxygen in Cu(100) oxidation
journal, August 2010