IR?HREELS???????????????????????,?HREELS???????????,????????(<100 meV?1000 cm-1??) - PowerPoint PPT Presentation

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IR?HREELS???????????????????????,?HREELS???????????,????????(<100 meV?1000 cm-1??)

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Title: IR?HREELS???????????????????????,?HREELS???????????,????????(<100 meV?1000 cm-1??)


1
???????
1??? ?????????????????????????,??????????????????
?
IR?HREELS???????????????????????,?HREELS??????????
?,????????(lt100 meV?1000 cm-1??)
2
CO????????????????????,????????????????????,??????
??????????????????2p?????CO????????,???????????,??
?????????????,????????????????????????????????????
???
Ek E0 Evib 1eV lt E0 lt 10eV
3
??????
??????
???? ????
????? ????
??????
4
???????????????,????????????????????????????????,?
??????????????????? (a) ????????????????????????
??????????? (b) ?????????????????????????????? (c
) ??????????????????? (d) ??????????? (e) ?????
5
  • ? lt0.2?????56meV??????????????90?125meV??????????
  • ? 0.6 ?,??????,???????94?130meV

????
6
2?????
HREELS?? (1) ?????????310eV (2)
????????(lt500meV),??????10meV,????????????lt10meV??
????????3-8meV (3) ?????????????????????lt1.5o
????????????????????????,??????????,?????????????
???
7
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8
3???
HREELS???????????????????? ?????IR????????????????
??(lt0.1??)??????????????????????
(1) ??
9
(2) ????
??C2H2O2 ?C?O????550 cm-1?630 cm-1 ??2080
cm-1?CO???W(100)????
??CO?????0.7L?????,????C?O?
10
???Ni????????????
150K,????OH?CH3?CO?? 180K OH????,?CH3?CO????CO??
??????????????????????????CH3O 300K
CH3O??,??O??,?CO????300K???H???????,??????
11
???Ru(001)????????
250 K
12
?????( ?F)??
?? ????????????????? ??????????????????? ?????????
????????????????
1??????? ???????????Fermi-Dirac????? ??????,??????
?E???????
f(E)1/exp((E-EF)/kT) 1
????????,????????,???????????????
?T ? 0??E EF??,f(EF) 1/2
13
?????EF,???????????????????,????Fermi?????????????
?
???????????????????????
?????????????????
14
2????????????
?????????
????????????Helmholfz??
?F4p?µNs
? ??????????????????
? ??????????????(µ)
? ???????????(s)
15
3????????
????
UR???,??????????S?C???????(?????),?????????,??????
????????UR???
eUR?Fs-Fc
??????????????????,?????????-?????????,?????(Fs-Fc
)/e??(Fs- ?Fs-Fc)/e?????????????????????
16
??????,????????,??????????????U,???????????W?2W???
?,????I(UR)?I(UR)?UR????
17
???????(TPD)????????(TPRS)
????
????
N-??????????? I-????
???,????????,?lnI?1/TP?,??????Ed
18
?????????????Ed?
19
TPRS
? ???TPD????????????(n?Ed?v) ? ???????????
? ???????????????? ? ?????????????
? ???????
A(g) ? Aa B(g) ? Ba Aa Ba ? C D Aa Ba ? Ca
Da Ca ? C(g) Da ?D(g)
???????Tp?Ed???,??????????? ?????Tp?Ed????(C?D)?
Tp?Ed??,????????????
20
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