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Manuscript for Molecular Catalysis Supplementary Information Effects of varying amounts of Na on Pd/TiO 2 for the direct synthesis of H 2 O 2 : Identification of the Pd dispersion and catalytic activity enhancement by changing the surface electronic states Young-Hoon Cho a , Geun-Ho Han a , Sang Soo Han b , Myung-gi Seo a, c, * and Kwan-Young Lee a, d, * a Department of Chemical and Biological Engineering, Korea University, 145 Anam- ro, Seongbuk-gu, Seoul 02841, Republic of Korea b Computational Science Research Center, Korea Institute of Science and Technology (KIST), Hwarangro 14-gil 5, Seoul 02792, Republic of Korea 1 1 2 3 4 5 6 7 8 9 10 11 12 14 15 16 17
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Manuscript for Molecular Catalysis
Supplementary Information
Effects of varying amounts of Na on Pd/TiO2 for the direct
synthesis of H2O2: Identification of the Pd dispersion and
catalytic activity enhancement by changing the surface electronic
states
Young-Hoon Cho a, Geun-Ho Han a, Sang Soo Han b, Myung-gi Seo a, c, *
and Kwan-Young Lee a, d, *
a Department of Chemical and Biological Engineering, Korea University, 145 Anam-ro,
Seongbuk-gu, Seoul 02841, Republic of Korea
b Computational Science Research Center, Korea Institute of Science and Technology
(KIST), Hwarangro 14-gil 5, Seoul 02792, Republic of Korea
c Lotte Chemical R&D Center, 115 Gajeongbuk-ro, Daejeon, 34110, Republic of Korea.
d Graduate School of Energy and Environment (KU-KIST Green School), Korea University,
Seoul 02841, South Korea
* Corresponding author: E-mail address: [email protected] (Dr. M.-g. Seo)
* Corresponding author: Tel.: +82-2-3290-3299; Fax: +82-2-926-6102;
E-mail address: [email protected] (Prof. Kwan-Young Lee);
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Figure S1. STEM EDS mapping images of catalysts; Pd, Na and Pd-Na elements of each
catalyst
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Figure S2. STEM images of Pd/TiO2 and PdNa(0.6)/TiO2 after calcination
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Figure S3. Na 1s XPS spectrum of each catalyst
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Figure S4. Time on stream (1 hr - 24 hrs) catalytic activity over a PdNa(0.6)/TiO2 : (a) The
values of H2 conversion & H2O2 selectivity and, (b) The values of H2O2 production rate &
H2O2 concentration
In Fig. S4, time on stream catalytic activity of a PdNa(0.6)/TiO2 catalyst performed to find
out the accurate catalytic activity according to reaction time progress. As a result of the
reaction experiments for 1 hour to 24 hours, the H2 conversion continued to increase, but
slightly increased from 9 hours. As expected, the H2O2 selectivity and production rate
gradually decreased. However, H2O2 concentration was gradually increased due to
accumulation of H2O2 in the reaction solvent as reaction time progressed. Eventually, the H2
conversion seems to be gradually increased, the accumulated H2O2 concentration is
decomposed by the applied catalyst to decrease the H2O2 selectivity, and production rate is
significantly influenced by reaction time, and thus tends to decrease markedly over time
passed.
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Figure S5. Pd 3d XPS spectrum of before and after DSHP reaction
Table S1. Na loading amounts of each catalyst and Pd surface area (m2/gPd) of
PdNa(0.6)/TiO2 (Before and after reaction)
Catalyst Before reaction(wt.%)a
After reaction(wt.%)a
Pd surface area
(m2/gPd)b
Pd surface
area
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(Before reaction)
(m2/gPd)b
(After reaction)
PdNa(0.3)/TiO2 0.25 < 0.01 - -
PdNa(0.6)/TiO2 0.51 0.05 86.3 97.4
PdNa(1.2)/TiO2 1.0 0.06 - -
a Measured by ICP-OES analysis
b Calculated by CO-pulse chemisorption
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