Abstract
Oxide tetrahedral bond formation with orbital occupation by the shared bonding and nonbonding electron pairs determine uniquely the bond geometry, valence density of states, and the surface potential barrier. Parameterization of all involved parameters as a function of the bond angle and length and the origin of the SPB not only simplified the calculations but also importantly ensured the solution approaching true situations.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
R. Jones, P.J. Jennings, O. Jepsen, Surface barrier in metals: a new model with application to W (001). Phys. Rev. B 29(12), 6474 (1984)
G. Hitchen, S. Thurgate, P. Jennings, Determination of the surface-potential barrier of Cu(001) from low-energy-electron-diffraction fine structure. Phys. Rev. B 44(8), 3939 (1991)
S.M. Thurgate, C. Sun, Very-low-energy electron-diffraction analysis of oxygen on Cu(001). Phys. Rev. B 51(4), 2410–2417 (1995)
P. Jennings, S. Thurgate, G. Price, The analysis of LEED fine structure. Appl. Surf. Sci. 13(1), 180–189 (1982)
A. Ermakov, E. Ciftlikli, S. Syssoev, I. Shuttleworth, B. Hinch, A surface work function measurement technique utilizing constant deflected grazing electron trajectories: Oxygen uptake on Cu(001). Rev. Sci. Instrum. 81(10), 105109 (2010)
N.V. Smith, Phase analysis of image states and surface states associated with nearly-free-electron band gaps. Phys. Rev. B 32(6), 3549 (1985)
J. Inkson, The effective exchange and correlation potential for metal surfaces. J. Phys. F: Met. Phys. 3(12), 2143 (1973)
G. Malmström, J. Rundgren, A program for calculation of the reflection and transmission of electrons through a surface potential barrier. Comput. Phys. Commun. 19(2), 263–270 (1980)
M. Lindroos, H. Pfnür, D. Menzel, Theoretical and experimental study of the unoccupied electronic band structure of Ru (001) by electron reflection. Phys. Rev. B 33(10), 6684 (1986)
C. Bai, Scanning tunneling microscopy and its application. vol. 32 (Springer, 2000)
H. Rotermund, Investigation of dynamic processes in adsorbed layers by photoemission electron microscopy (PEEM). Surf. Sci. 283(1), 87–100 (1993)
U. Döbler, K. Baberschke, J. Stöhr, D. Outka, Structure of c (2 × 2) oxygen on Cu(100): A surface extended X-ray absorption fine-structure study. Phys. Rev. B 31(4), 2532 (1985)
G. Ertl, Reactions at well-defined surfaces. Surf. Sci. 299, 742–754 (1994)
W. Jacob, V. Dose, A. Goldmann, Atomic adsorption of oxygen on Cu(111) and Cu(110). Appl. Phys. A 41(2), 145–150 (1986)
Y. Kuk, F. Chua, P. Silverman, J. Meyer, O chemisorption on Cu(110) by scanning tunneling microscopy. Phys. Rev. B 41(18), 12393 (1990)
J. Nørskov, Theory of adsorption and adsorbate-induced reconstruction. Surf. Sci. 299, 690–705 (1994)
K.W. Jacobsen, Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfaces. Phys. Rev. Lett. 65(14), 1788 (1990)
H. Zeng, K. Mitchell, Further LEED investigations of missing row models for the Cu(100) − (22 × 2) R45°-O surface structure. Surf. Sci. 239(3), L571–L578 (1990)
N. Lang, Vacuum tunneling current from an adsorbed atom. Phys. Rev. Lett. 55(2), 230 (1985)
T.N. Rhodin, G. Ertl, The nature of the surface chemical bond (North-Holland Publishing Company: Sole Distributor for the USA and Canada Elsevier, North-Holland, 1979)
F. Besenbacher, J.K. Nørskov, Oxygen chemisorption on metal surfaces: general trends for Cu, Ni and Ag. Prog. Surf. Sci. 44(1), 5–66 (1993)
M. Van Hove, G. Somorjai, Adsorption and adsorbate-induced restructuring: a LEED perspective. Surf. Sci. 299, 487–501 (1994)
C.Q. Sun, O–Cu(001): II. VLEED quantification of the four-stage Cu3O2 bonding kinetics. Surf. Rev. Lett. 8(6): 703–734 (2001)
C.Q. Sun, O–Cu(001): I. Binding the signatures of LEED, STM and PES in a bond-forming way. Surf. Rev. Lett. 8(3–4): 367-402 (2001)
L. Pauling, The Nature of the Chemical Bond. 3rd edn. (Cornell University Press, Ithaca, NY, 1960)
C.Q. Sun, C.L. Bai, A model of bonding between oxygen and metal surfaces. J. Phys. Chem. Solids 58(6), 903–912 (1997)
X. Zhang, Y. Huang, Z. Ma, Y. Zhou, W. Zheng, J. Zhou, C.Q. Sun, A common supersolid skin covering both water and ice. Phys. Chem. Chem. Phys. 16(42), 22987–22994 (2014)
C.Q. Sun, Relaxation of the Chemical Bond. Springer Series in Chemical Physics, vol. 108 (Springer, Heidelberg, 2014), 807p
C.Q. Sun, Y. Sun, The Attribute of Water: Single Notion, Multiple Myths. Springer Series in Chemical Physics, vol. 113 (Springer, Heidelberg, 2016). 494 pp
C.Q. Sun, Oxidation electronics: bond-band-barrier correlation and its applications. Prog. Mater Sci. 48(6), 521–685 (2003)
C.Q. Sun, Size dependence of nanostructures: impact of bond order deficiency. Prog. Solid State Chem. 35(1), 1–159 (2007)
J.D. Jorgensen, Defects and superconductivity in the copper oxides. Phys. Today 44, 34–40 (1991)
H. Kamimura, Y. Suwa, New theoretical view for high temperature superconductivity. J. Phys. Soc. Jpn. 62(10), 3368–3371 (1993)
V.M. Goldschmidt, Crystal structure and chemical correlation. Berichte Der Deutschen Chemischen Gesellschaft 60, 1263–1296 (1927)
D. Adams, H. Nielsen, J. Andersen, I. Stensgaard, R. Feidenhans, J. Sørensen, Oscillatory relaxation of the Cu(110) surface. Phys. Rev. Lett. 49(9), 669 (1982)
P. Jennings, C.Q. Sun, Low-energy electron diffraction, in Smart Surface Analysis Methods in Materials Science, vol. 23, ed. by J. O’Connor, B. Sexton, R.S. Smart (Springer, 2013)
N. Lang, Theory of single-atom imaging in the scanning tunneling microscope, in Scanning Tunneling Microscopy (Springer, 1986), pp. 75–78
C.Q. Sun, A model of bonding and band-forming for oxides and nitrides. Appl. Phys. Lett. 72(14), 1706–1708 (1998)
A.P. Cole, D.E. Root, P. Mukherjee, E.I. Solomon, T. Stack, A trinuclear intermediate in the copper-mediated reduction of O2: four electrons from three coppers. Science 273(5283), 1848 (1996)
F.M. Chua, Y. Kuk, P.J. Silverman, Oxygen chemisorption on Cu(110): An atomic view by scanning tunneling microscopy. Phys. Rev. Lett. 63(4), 386–389 (1989)
F. Jensen, F. Besenbacher, E. Laegsgaard, I. Stensgaard, Dynamics of oxygen-induced reconstruction on Cu(100) studied by scanning tunneling microscopy. Phys. Rev. B 42(14), 9206–9209 (1990)
C.Q. Sun, C.L. Bai, Modelling of non-uniform electrical potential barriers for metal surfaces with chemisorbed oxygen. J. Phys. Condens. Matter 9(27), 5823–5836 (1997)
H. Rotermund, J. Lauterbach, G. Haas, The formation of subsurface oxygen on Pt(100). Appl. Phys. A 57(6), 507–511 (1993)
J. Lauterbach, K. Asakura, H. Rotermund, Subsurface oxygen on Pt(100): kinetics of the transition from chemisorbed to subsurface state and its reaction with CO, H2 and O2. Surf. Sci. 313(1–2), 52–63 (1994)
J. Lauterbach, H. Rotermund, Spatio-temporal pattern formation during the catalytic CO-oxidation on Pt(100). Surf. Sci. 311(1), 231–246 (1994)
J. Boulliard, M. Sotto, On the relations between surface structures and morphology of crystals. J. Cryst. Growth 110(4), 878–888 (1991)
R. Dietz, E. McRae, R. Campbell, Saturation of the image potential observed in low-energy electron reflection at Cu(001) surface. Phys. Rev. Lett. 45(15), 1280 (1980)
M. Read, A. Christopoulos, Resonant electron surface-barrier scattering on W(001). Phys. Rev. B 37(17), 10407 (1988)
A. Adnot, J. Carette, High-resolution study of low-energy-electron-diffraction threshold effects on W(001) surface. Phys. Rev. Lett. 38(19), 1084 (1977)
H. Pfnür, M. Lindroos, D. Menzel, Investigation of adsorbates with low energy electron diffraction at very low energies (VLEED). Surf. Sci. 248(1–2), 1–10 (1991)
J. Demuth, D. Jepsen, P. Marcus, Comments regarding the determination of the structure of c (2 × 2) sulfur overlayers on Ni(001). Surf. Sci. 45(2), 733–739 (1974)
T. Fujita, Y. Okawa, Y. Matsumoto, K.-I. Tanaka, Phase boundaries of nanometer scale c (2 × 2)-O domains on the Cu(100) surface. Phys. Rev. B 54(3), 2167 (1996)
E. McRae, Electron diffraction at crystal surfaces: I. Generalization of Darwin’s dynamical theory. Surf. Sci. 11(3): 479–491 (1968)
R.O. Jones, P.J. Jennings, LEED fine structure: origins and applications. Surf. Sci. Rep. 9(4), 165–196 (1988)
J. Pendry, G.P. Alldredge, Low energy electron diffraction: the theory and its application to determination of surface structure. Phys. Today 30, 57 (1977)
M. Nishijima, M. Jo, Y. Kuwahara, M. Onchi, Electron energy loss spectra of a Pd(110) clean surface. Solid State Commun. 58(1), 75–77 (1986)
E. McRae, C. Caldwell, Absorptive potential in nickel from very low energy electron reflection at Ni(001) surface. Surf. Sci. 57(2), 766–770 (1976)
C.Q. Sun, Spectral sensitivity of the VLEED to the bonding geometry and the potential barrier of the O–Cu(001) surface. Vacuum 48(5), 491–498 (1997)
C. Hitchen, S. Thurgate, P. Jennings, A LEED fine structure study of oxygen adsorption on Cu(001) and Cu(111). Aust. J. Phys. 43(5), 519–534 (1990)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
Copyright information
© 2020 The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.
About this chapter
Cite this chapter
Sun, C. (2020). Principles: Bond-Band-Barrier Correlation. In: Electron and Phonon Spectrometrics. Springer, Singapore. https://doi.org/10.1007/978-981-15-3176-7_14
Download citation
DOI: https://doi.org/10.1007/978-981-15-3176-7_14
Published:
Publisher Name: Springer, Singapore
Print ISBN: 978-981-15-3175-0
Online ISBN: 978-981-15-3176-7
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)