: - . ., .., .., . - 2012

: 2H2 + O2 => 2H2O : . : , : , .

Ptn Ptn SnO2 SnO2 FSA- H2 1/2O2 H2OH+H+IIIIII

- , , (DFT) (GGA=PBE) , 400 , , , VASP. PAW ( 4-8 288-144 ( (SnO2)96 - (SnO2)48 ).

: - 0.01-0.02A, 0.05-0.10 , - - 0.1-0.3

11

Ptn n-1/3 [V. Kumar, Y. Kawazoe , PHYSICAL REVIEW B , 2008, 77, 205418 ].

Ptn SnO2 H2 H+H+I

Pt6 Pt19 SnO2.SnO2(110)SnO2(001)

Pt6 Pt19, SnO2

C- H/Pt/SnO2

I, SnO2(001)

, SnO2 :

6(Sn) 3(O)

4(Sn) 2(O) - I, SnO2(001) 5,6(Sn) 2,3(O) - II, SnO2(110)

5(Sn) 2,3(O) - III, SnO2(100) 4,5(Sn) 2,3(O) - IV, SnO2(-1-11)

I-IV SnO2 -

4(Sn) 2(O) 5,6(Sn) 2,3(O) 5(Sn) 2,3(O) 4,5(Sn) 2,3(O) I, SnO2(001) II, SnO2(110) III, SnO2(100) IV, SnO2(-1-11)

SnO2(001)

Ptn SnO2 1/2O2 H2OH+H+II

Pt19,

Pt19, p(1.2 - 1.7 )

OH H2/Pt19/SnO2

O-O 2 11

O-O

(8) (19).

OH

OH-. Z , =>

FSA- H+H+III

[2,4-FSA*2H2O]4 [(CH3)3C6H2SO3-*H5O2+]

-2,4- 3+ (~2,5)

a = 5.959(1) = 71.08(1)0b = 7.995(1) V = 541.30(8) 3c = 12.025(1) Z = 2 = 88.71(1)0.. P(-1) = 87.23(1)0R1 = 0.0309

:

C -- PVA/FSA = 16/1 75% PVA/FSA = 8/1 32%.

/ / Nafion

PVA .

FSA*nH2O , n=14.

. c .

(110)R3, -50% O

(100)R1, -50% O

De(O2) 3.86

De(O2) 3.04

Pt(100) ~ 0.4 . ~ 0.2 .

2 Pt79. Pt79 (111) ~ 1.1

: Pt6 H2 [67 ] Pt4H Pt-HDFT/ B3LYP/MWB,aug-cc-pVTZ) [63]

:a) , b) c)