CM4261

NATIONAL UNIVERSITY OF SINGAPORE

2nd In-class Test
CM4261 SURFACE SCIENCE

Nov 2014 - TIME ALLOWED: 45 mins

INSTRUCTIONS TO CANDIDATES

1.

This 2nd in-class test examination paper contains 3 questions and comprises 5
pages.

2.

Answer all 3 questions.

3.

Answer each question beginning on a FRESH page of the answer book.

4.

This is a CLOSED BOOK examination.

5.

Non-programmable calculators ARE allowed.

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Question 1 (30 marks)
For the following competitive adsorption of gas molecules of A3, B and C2 on the same
surface, both A3 and C2 molecules undergo the dissociative adsorption, while B molecule
undergoes non-dissociative adsorption, as shown by the schematic below.

Assuming that the total number of the surface adsorption sites is N, the surface coverage
for adsorbed A species is A, for B is B, for C is C, and the partial pressure for A3 is pA,
for B is pB, and for C2 is pC, equilibrium constant for the first adsorption process (A3
molecule) is KA [KA = (ka)A/(kd)A] , for the second adsorption process (B molecule) is KB
[KB =

(ka)B/(kd)B], and for the third adsorption process (C2 molecule) is KC [KC =

(ka)C/(kd)C], please derive the expression for A, B and C as a function of pA, pB, pC, KA,
KB and KC under equilibrium conditions (i.e., the rate of adsorption equals to the rate of
desorption).

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k a p A (1 A B C ) 3 k d ( A ) 3
k
A
KA a
kd
p A (1 A B C ) 3
3

1 A B C

A
3

K A pA

for (2)
1 A B C

B
K B pB

for (3)
1 A B C

A
B
C

C
K C pC
K A pA

1 3 K A p A K B p B K C pC
K B pB
1 3 K A p A K B p B K C pC
K C pC
1 3 K A p A K B p B K C pC

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Question 2 (total 40 marks)
The following drawing shows the Cu(100) surface structure after the adsorption of certain
amount of Xe molecules, where the open circles represent Cu atom and each dark circle
for a single Xe molecule. Note: Cu has a fcc structure.
(1) Sketch the LEED pattern for this surface adsorbate structure;

(20 marks)

(2) Derive the Woods notation and Matrix notation for the adsorbate overlayer
structure;

(12 marks)

(3) Calculate the surface coverage of adsorbed Xe on Cu(100).

Woods notation: 2 2 3 2R45

Coverage: 1/6
LEED:

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(8 marks)

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Question 3 (30 marks)

(1) Si(100) surface adopts a 21 surface reconstruction, as shown by the STM image
above (panel a) . However, on this reconstructed surface, there are two equivalent
21 domains (domain A and domain B) coexisted. It is known that Domain A is
perpendicular to Domain B, as shown by the model in panel b. Please sketch the
corresponding LEED pattern for this Si(100)-21 reconstructed surface with two
coexisted 21 domains.

(15 marks)

(2) The following figures show the bias-dependent STM images (sample bias and tip
grounded) for Si(100)-21 surface. Panels (a) and (b) were measured under
reversed sample bias, i.e., one image was taken under positive sample bias, and
another one was taken under negative sample bias. The rectangles in panels (a) and
(b) highlight the same 21 structure (unit cell) on the surface.

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Please tell which panel [panel (a) or panel (b)] is the filled (occupied) state STM image,
and which is the empty (unoccupied) state STM image.
Briefly explain the reason why you can make such assignment.
(15 marks)
Panel (a) is empty state (unoccupied orbital), antibonding orbital as we see two nodes,
imaged under positive sample bias;
Panel (b) is filled state (occupied oribital, bonding orbital as we only see one node, imaged
under negative sample bias.
END OF PAPER

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