Genetic and cellular approaches to doping and doping detection ·
Copper on Carbon Materials: Stabilization by Nitrogen Doping · 1 Electronic Supplementary...
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1 Electronic Supplementary Information Copper on Carbon Materials: Stabilization by Nitrogen Doping Dmitri A. Bulushev,* abc Andrey L. Chuvilin, de Vladimir I. Sobolev, ab Svetlana G. Stolyarova, b Yury V. Shubin, bc Igor P. Asanov, bc Arcady V. Ishchenko, ac Giacomo Magnani, f Mauro Riccò, f Alexander V. Okotrub, bc Lyubov G. Bulusheva* bc a Boreskov Institute of Catalysis, SB RAS, Novosibirsk, 630090, Russia b Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk, 630090, Russia c Novosibirsk State University, Novosibirsk, 630090, Russia d CIC nanoGUNE Consolider, San Sebastian, 20018, Spain e IKERBASQUE, Basque Foundation for Science, Bilbao, 20013, Spain f Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Università di Parma, 43124 Parma, Italy *E-mail: [email protected], [email protected] Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is © The Royal Society of Chemistry 2017
Transcript of Copper on Carbon Materials: Stabilization by Nitrogen Doping · 1 Electronic Supplementary...
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Electronic Supplementary Information
Copper on Carbon Materials: Stabilization by Nitrogen Doping
Dmitri A. Bulushev,*abc Andrey L. Chuvilin,de Vladimir I. Sobolev,ab Svetlana G. Stolyarova,b
Yury V. Shubin,bc Igor P. Asanov,bc Arcady V. Ishchenko,ac Giacomo Magnani,f Mauro Riccò,f
Alexander V. Okotrub,bc Lyubov G. Bulusheva*bc
aBoreskov Institute of Catalysis, SB RAS, Novosibirsk, 630090, Russia
bNikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk, 630090, Russia
cNovosibirsk State University, Novosibirsk, 630090, Russia
dCIC nanoGUNE Consolider, San Sebastian, 20018, Spain
eIKERBASQUE, Basque Foundation for Science, Bilbao, 20013, Spain
fDipartimento di Scienze Matematiche, Fisiche e Informatiche, Università di Parma, 43124
Parma, Italy
*E-mail: [email protected], [email protected]
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.This journal is © The Royal Society of Chemistry 2017
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Figure S1. SEM images of the catalyst supports.
Figure S2. Atomic resolution HAADF/STEM image of the Cu/PCN catalyst after the reaction
(Titan 60-300).
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Figure S3. Low resolution a) TEM and b) HAADF/STEM images of the Cu/N-PCN catalyst
after the reaction (Titan 60-300).
950 945 940 935 930 925
Inte
nsity
, a.u
.
Binding energy, eV
Cu2+
934.5
Cu2+ satellite
Cu+,Cu0
932.4
Cu/TEGO
Figure S4. Cu 2p3/2 XPS spectra of the Cu/TEGO catalyst before the reaction.
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Figure S5. a),b),c),d) Models of binding of a Cu atom to the N-doped graphene fragments
obtained after optimization at the PBE/LACVP level. White color indicates C, dark blue – N,
yellow – H, and brown – Cu. The interaction energy of the Cu atom and NBO charge on it are
indicated.
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Figure S6. a),b),c),d) Models of binding of a Cu atom to the N-doped graphene fragments
obtained after optimization at the PBE/LACVP level. White color indicates C, dark blue – N,
yellow – H, and brown – Cu. The interaction energy of the Cu atom and NBO charge on it are
indicated.
Figure S7. Formic acid conversion – temperature dependences for the Cu catalysts in the first
and second heating cycles in formic acid (2 K min-1).
