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The adsorption energies, Eads, are calculated by using the
following equation:
Eads = Eadsorbate+surface − E
+ Esurface
(
)
adsorbate
Where Eadsorbate+surface is the total energy of surface covered
with adsorbates, Eadsorbate is the energy of adsorbate, and Esurface
is the energy of clean surface. With this definition, a negative
value of Eads means a release of energy or a stable adsorption
on the surface.
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ASSOCIATED CONTENT
Supporting Information. This file provides more detailed inforꢀ
mation regarding structural characterization of PNꢀCeO2, EDS
spectrum of PdsNC/PNꢀCeO2 catalysts, TEM images of
PdsNC/PNꢀCeO2, PdNP/PNꢀCeO2, PdNP/NRꢀCeO2, PdNP/NPꢀ
CeO2, PdNP/SiO2 and PdNP/TiO2, the optimized structure and
bond distances (Å) of 4ꢀnitrophenol, the adsorption model of 4ꢀ
nitrophenol on the ideal (111) crystal face of CeO2, the FTIR
spectra of NRꢀCeO2 and NPꢀCeO2 supports before and after abꢀ
sorption of 4ꢀnitrophenol, the calculation model of Pd4/PNꢀCeO2,
Pd6/PNꢀCeO2 and Pd38 nanoparticle, TEM iamges of PdsNC/PNꢀ
CeO2ꢀ300 and PdsNC/PNꢀCeO2ꢀ500 catalysts, XPS spectrum and
Raman spectra of various catalysts, TEM image of the
PdsNC/PNꢀCeO2 catalysts after 6 cycle of catalytic reactions and
the optimization of reaction condition for hydrogenation of 4ꢀ
nitrophenol. This material is available free of charge via the Interꢀ
AUTHOR INFORMATION
Corresponding Author
* yongquan@mail.xjtu.edu.cn
Notes
The authors declare no competing financial interest.
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Int. Ed. 2012, 51, 5929ꢀ5034.
(28) Yang, M.; Li, S.; Wang, Y.; Herron, J. A.; Xu, Y.; Allard, L. F.;
Lee, S.; Huang, J.; Mavrikakis, M.; FlytzaniꢀStephanopoulos, M.
Science 2014, 346, 1498ꢀ1501.
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(30) Huang, Z.; Gu, X.; Cao, Q.; Hu, P.; Hao, J.; Li, J.; Tang, X. An-
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(31) Zhang, X.; Guo, J.; Guan, P.; Liu, C.; Huang, H.; Xue, F.; Dong,
X.; Pennycook, S. J.; Chisholm, M. F. Nat. Commun. 2013, 4, 1924.
(32) Xing, J.; Chen, J. F.; Li, Y. H.; Yuan, W. T.; Zhou, Y.; Zheng,
L. R.; Wang, H. F.; Hu, P.; Wang, Y.; Zhao, H. J.; Yang, H. G.
Chem. Eur. J. 2014, 20, 2138ꢀ2144.
(33) Kistler, J. D.; Chotigkrai, N.; Xu, P.; Enderle, B.; Praserthdam,
P.; Chen, C. Y.; Browning, N. D.; Gates, B. C. Angew. Chem. Int. Ed.
2014, 53, 8904ꢀ8907.
(34) Okrut, A.; Runnebaum, R. C.; Ouyang, X.; Lu, J.; Aydin, C.;
Hwang, S.ꢀJ.; Zhang, S.; OlatunjiꢀOjo, O. A.; Durkin, K. A.; Dixon, D.
A. Nat. Nanotechnol. 2014, 9, 459ꢀ465.
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8596.
ACKNOWLEDGMENT
We acknowledge the financial support from a NSFC Grant
21201138, 21401148, and the National 1000ꢀPlan program. This
work was also partially funded by the Ministry of Science and
Technology of China through a 973ꢀprogram under Grant
2012CB619401 and by the Fundamental Research Funds for the
Central Universities under Grant xjj2013102 and xjj2013043.
Authors thank the State Key Laboratory for Mechanical Behavior
of Materials (Dr. Yuanbin Qin) and Frontier Institute of Science
and Technology for TEM technical support. We thank Prof. Jun
Li at Tsinghua University for help in getting access to the softꢀ
ware of VASP. All calculations were performed by using superꢀ
computers at the Shanghai Supercomputing Center and the Shenꢀ
Zhen Cloud Computing Center.
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