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Group Leader

Prof. Dr. Shengfa Ye

Group Leader, Professor

State Key Laboratory of Catalysis

Dalian Institute of Chemical Physics, Chinese Academy of Sciences

Zhongshan Road 457, Dalian 116023, China




Work Experiences


Max-Planck Institute for Bioinorganic Chemistry, Germany

Research Associate


University of Bonn, Germany

Research Associate


University of Bonn, Germany

Group Leader


Max-Planck Institute for Chemical Energy Conversion, Germany

Senior Staff Scientist


Max-Planck Institute for Coal Research, Germany

Senior Staff Scientist


State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, China

Group Leader

Education Background


Peking University, China

Environmental Science



Peking University, China

Environmental Science



University of Stuttgart, Germany

Inorganic Chemistry


Research Interests

General Interest: Elucidation of electronic structures of transition metal complexes and rationalization of the reaction mechanisms thereof.

· Computational Chemistry

➢ Bioinorganic chemistry (Structure, spectroscopy and reactivity of transition metal centers in enzymes)

o Oxygen activation by non-heme iron enzymes

o C-H bond activation by high-valent iron intermediates (FeIV,FeV,FeVI)

o Biological transformation of NO

o Copper enzymes

➢ Coordination chemistry

o Transition metals with coordinated radicals (geometric and electronic structure, spectroscopy and reactivity)

o Multiplets and optical spectra of transition metal complexes

o Molecular Magnetism

o CO2fixation by transition metal complexes

· Quantum Chemistry and Theoretical Spectroscopy

➢ Theory of Mössbauer spectroscopy

➢ Theory of molecular magnetism

➢ Theory of optical spectroscopy (UV/vis, CD, MCD, resonance Raman)

· Experimental Interests

➢ Optical Spectroscopy: Resonance Raman, CD, MCD, Absorption

➢ Magnetic Spectroscopy: EPR, Mössbauer

Research Project

2009-2012 German Science Foundation and National Science Foundation collaboration project, Oxygen Activation by Isopenicillin N Synthase, the Yin and Yang of C-H Activation (DFG NE690/7-1)

2009-2011 Humboldt Foundation, Oxygen Activation in Extradiol Catechol Dioxygenases

2011-present Max-Planck Society, Mechanistic Study on CO2Reduction

2016-2019 European Research Council, Non-Noble Metal Catalysis, CO2Reduction by Low-Valent Iron Porphyrins

2017-2019 German Academic Exchange Service (DAAD), Trapping and Characterization of Active Intermediates in the Catalytic Cycle of Dioxygen Activation

Honors and Prize

2001 – 2005 Scholarship from German Science Foundation, Stuttgart, Germany

2001 Award for excellent graduate, Peking University, China

2000 Award for excellent student in Academic, Moral and Health, Peking University, China

1999 A “Guanghua” scholarship for academic excellence, Peking University, China

1997 “Dubang” scholarship for excellent student, Peking University, China

1996 “Jiudingxuan” scholarship for excellent student, Peking University, China

1994 Top-Grade Prize in Chinese National Chemistry Contest in Guizhou Province, Chinese Chemical Society