Gallery of pictures from the

NIST Surface Structure Database (SSD)

Photo (3K)

The NIST Surface Structure Database (SSD) represents a joint effort of the Standard Reference Data Group at the National Institute of Standards and Technology (NIST ), Washington and of three main investigators, P. R. Watson (OSU Corvallis), M. A. Van Hove (CityU of Hong Kong, formerly UC Davis and LBNL), and K. Hermann (Fritz-Haber-Institut Berlin).

NIST SSD collects all experimentally solved surface structures in searchable electronic form. The software is updated regularly and is distributed by NIST. At present version 5 (structures up to start 2004) is available. For detailed information consult the SSD homepage at NIST.

NIST SSD comes with an integrated visualizer and graphical analyzer (SURVIS) which offers various graphical and numerical output formats thus interfacing with separate visualization and postprocessing software. The following pictures were output from SSD / SURVIS and postprocessed with BALSAC for adaptation to WWW. Note that the original SSD output (without postprocessing) yields identical structural features and similar visual results.

You may use any of the pictures shown here as you please, with proper reference: for publications "WWW Picture gallery based on in the Surface Structure Database (SSD, NIST Standard Reference Database 42) by P. R. Watson, M. A. Van Hove, K. Hermann. The pictures have been prepared from SSD output and postprocessed with BALSAC by K. Hermann", or for overhead and other projection "from NIST Surface Structure Database".

The pictures, which cover only part of the database contents, are grouped in the following categories:

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Clean metal substrates

  1. fcc(111)-(1x1)
  2. fcc(100)-(1x1)
  3. Ir(100)-(1x5)
  4. fcc(110)-(1x1)
  5. fcc(110)-(1x2) missing row
  6. fcc(110)-(1x3) facets I
  7. fcc(110)-(1x3) facets II
  8. fcc(311)-(1x1)
  9. fcc(210)-(1x1)
  10. fcc(331)-(1x1)
  11. bcc(110)-(1x1)
  12. bcc(100)-(1x1)
  13. W(100)-c(2x2)
  14. bcc(100)-(1x1) disordered
  15. bcc(111)-(1x1)
  16. bcc(210)-(1x1)
  17. bcc(211)-(1x1)
  18. bcc(310)-(1x1)
  19. hcp(0001)-(1x1)
  20. hcp(10-10)-(1x1)
  21. hcp(11-20)-(1x1)

Metal substrates with atomic adsorbates

  1. fcc(111) high symmetry adsorbate sites
  2. fcc(111)+(1x1)-Ad
  3. fcc(111)+(r3xr3)R30-Ad; ~-2Ad
  4. fcc(111)+p(2x2)-Ad; ~-2Ad
  5. Al(111)+(1x1)-O (subsurface)
  6. fcc(111)+(r3xr3)R30-Ad; ~+(2x2)-Ad (substitutional)
  7. fcc(100) adsorbate sites
  8. fcc(100)+c(2x2)-Ad
  9. fcc(100)+p(2x2)-Ad; ~+c(4x2)-Ad
  10. Cu(100)+c(5r2xr2)R45-3Pb
  11. fcc(100)+p4g(2x2)-2Ad
  12. fcc(100)+c(2x2)-Ad (substitutional)
  13. Cu(100)+(2r2xr2)R45-2O
  14. fcc(110) high symmetry adsorbate sites
  15. fcc(110)+c(2x2)-Ad
  16. Rh(110)+(1x1)-2H; Pd(110)+(2x1)-2H
  17. Rh(110)+(1x3)-H; Rh(110)+(1x2)-3H
  18. fcc(110)+(2x1)-O missing/added row
  19. Ir(110)+(2x2)-2S
  20. Au(110)+c(2x2)-K (substitutional)
  21. Cu(410)+(1x1)-O
  22. Cu(410)+(1x1)-2O
  23. bcc(110) high symmetry adsorbate sites
  24. bcc(110)+(2x1)-Ad
  25. Fe(110)+(3x1)-2H
  26. Fe(110)+p(2x2)-S
  27. bcc(100) high symmetry adsorbate sites
  28. bcc(100)+(1x1)-Ad
  29. bcc(100)+c(2x2)-Ad; ~+(1x1)-2Ad
  30. W(100)+O disordered (simulated as 2x2)
  31. W(100)+p(2x1)-disordered O
  32. Ta(100)+(1x3)-O
  33. Fe(211)+(2x1)-O
  34. hcp(0001) high symmetry adsorbate sites
  35. Ru(0001)+(1x1)-H
  36. Ru(0001)+p(2x1)-O; ~+p(2x2)-O
  37. hcp(0001)+(1x1)-Ad (interstitial)
  38. Zr(0001)+(2x2)-O (fcc, interstitial)
  39. Co(10-10)+c(2x2)-K

Metal substrates with molecular adsorbates

  1. fcc(111)+CO high symmetry sites
  2. Pt(111)+c(4x2)-2CO
  3. Rh(111)+(2x2)-3CO
  4. Ni(111)+(2x2)-C2H2
  5. fcc(111)+C2H3 high symmetry sites
  6. Rh(111)+c(4x2)-C2H3+CO
  7. Pt(111)+C6H6 disordered
  8. Pt(111)+(2r3x4)rect-2C6H6+4CO
  9. Rh(111)+c(2r3x4)rect-C6H6+CO
  10. fcc(111)+(3x3)-C6H6+2CO
  11. fcc(100)+CO high symmetry sites
  12. Pd(100)+(2r2xr2)R45-2CO
  13. Cu(100)+C2H2 disordered
  14. Cu(100)+C2H4 disordered
  15. Cu(100)+HCO2 disordered
  16. Cu(100)+CH3O disordered
  17. Ni(100)+C6SH5 disordered
  18. Ni(110)+p(2x1)-2CO
  19. Cu(110)+HCO2 disordered
  20. Ru(0001)+(r3xr3)R30-CO

Metal substrates with metal and rare gas films

  1. fcc(111)+(1x1)-1Me
  2. Ag(111)+Xe incommensurate
  3. fcc(100)+(1x1)-nMe (e.g. n = 3)
  4. Ni(100)+Ag(111) multilayers
  5. fcc(110)+(1x1)-1Me
  6. fcc(100)+(1x1)-nMe (e.g. n = 3)
  7. hcp(0001)+(1x1)-nMe (e.g. n = 3)

Clean elemental semiconductor substrates

  1. Si(111)-(1x1)
  2. Si(111)-(2x1)
  3. Si(111)-(r3xr3)R30
  4. Si(111)-(7x7)
  5. Ge(111)-c(2x8)
  6. Si(100)-(1x1)
  7. Si(100)-(2x1)
  8. Si(100)-c(4x2)

Elemental semiconductor substrates with atomic adsorbates

  1. diamond(111) high symmetry adsorbate sites
  2. Si(111)+(r3xr3)R30-Al
  3. Ge(111)+(2x2)-S
  4. Si(111)+(1x1)-Cl
  5. Si(111)+(r3xr3)R30-Bi (1 ML)
  6. Si(111)+(r3xr3)R30-B
  7. Si(111)+(1x1)-As
  8. Si(111)+(r3xr3)R30-Bi
  9. diamond(100) high symmetry adsorbate sites
  10. Si(100)+Co (0.4ML)
  11. Ge(100)+(2x1)-S
  12. Si(100)+(2x1)-Na
  13. Si(100)+(2x1)-2K
  14. Si(100)+(2x1)-2Sb
  15. Ge(111)+(r3xr3)R30-4Pb (4/3 ML)

Elemental semiconductor substrates with molecular adsorbates

  1. Ge(111)+(1x1)-PHx

Clean compound semiconductor substrates

  1. GaAs(110)-(1x1)
  2. GaAs(111)-(2x2)
  3. SiC(100)-c(2x2) (C2H4 exposed)
  4. SiC(100)-c(2x2) (Si sublimation)
  5. SiC(100)-p(2x1)
  6. GaAs(311)-(1x1) As termination
  7. GaAs(311)-(1x1) Ga termination
  8. ZnO(0001)-(1x1)
  9. ZnO(10-10)-(1x1)
  10. ZnO(11-20)-(1x1)

Compound semiconductor substrates with atomic adsorbates

  1. GaAs(110)+(1x1)-2Sb
  2. GaAs(110)+(1x1)-Al/2Al (low/medium coverage)

Semiconductor interfaces

  1. Si(111)+(1x1)-CoSi2(111) interface I
  2. Si(111)+(1x1)-CoSi2(111) interface II
  3. Si(111)+(1x1)-NiSi2(111) interface I
  4. Si(111)+(1x1)-NiSi2(111) interface II

Metallic alloy surfaces

  1. Ni3Al(111)-(1x1)
  2. Pt0.1Ni0.9(111)-(1x1)
  3. Pt0.5Ni0.5(111)-(1x1)
  4. Pt0.78Ni0.22(111)-(1x1)
  5. Pt0.8Fe0.2(111)-(1x1)
  6. a-Cu(111)+16%Al-(r3xr3)R30
  7. Ni3Al(100)-(1x1)
  8. AuCu3(100) disordered
  9. Pt0.1Ni0.9(100)-(1x1)
  10. Ni3Al(110)-(1x1)
  11. Pt0.1Ni0.9(110)-(1x1)
  12. Pt0.5Ni0.5(110)-(1x1)
  13. Pt0.8Fe0.2(110)-(1x2)
  14. Cu0.85Pd0.15(110)-(2x1)
  15. NiAl(110)-(1x1)
  16. NiAl(100)-(1x1)
  17. NiAl(111)-(1x1) Al/Ni terminated
  18. CoSi2(111)-(1x1)
  19. CoSi2(111)-(1x1) Si-rich
  20. NiSi2(100)-(1x1)
  21. NiSi2(100)-(1x1) Si-rich

Clean oxide, bromide, carbide substrates

  1. CoO(100)-(1x1)
  2. CoO(111)-(1x1)
  3. AgBr(111)-(2x1)
  4. Na2O(111)-(1x1)
  5. TiO2(100)-(3x1)
  6. SrTiO3(100)-(1x1) O-Ti-O termination
  7. SrTiO3(100)-(1x1) Sr-O termination

Oxide, bromide, carbide substrates with adsorbates

  1. TiC(111)+(r3xr3)R30-O

Other clean substrates

  1. C(0001)-(1x1) graphite
  2. Te(10-10)-(1x1)
  3. MoS2(0001)-(1x1)
  4. NbSe2(0001)-(1x1)
  5. TiSe2(0001)-(1x1)

Other substrates with adsorbates

  1. C(0001)+(2x2)-Cs
  2. C(0001)+(r3xr3)R30-Cs
  3. C(0001)+1K disordered underlayer
  4. C(0001)+2K disordered underlayers
  5. C(111)+(1x1)-H diamond

BALSAC picture gallery

K. Hermann's official home page


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