论文成果
- In Situ Active Site for CO Activation in Fe-Catalyzed Fischer-Tropsch Synthesis from Machine Learning.-Journal of the American Chemical Society-2021-01-01-143
- Oxide-supported single gold catalyst for selective hydrogenation of acrolein predicted from first principles.-Journal of Catalysis-2009-01-01-266
- Constrained Broyden Minimization Combined with the Dimer Method for Locating Transition State of Complex Reactions.-Journal of Chemical Theory and Computation-2010-01-01-6
- Identification of the Active Cu Phase in the Water-Gas Shift Reaction over Cu/ZrO2 from First Principles.-Journal of Physical Chemistry C-2010-01-01-114
- Origin and Activity of Gold Nanoparticles as Aerobic Oxidation Catalysts in Aqueous Solution.-Journal of the American Chemical Society-2011-01-01-133
- Mechanism of Oxygen Electro-Reduction on Au-Modified Pt: Minimizing O Coverage and Pt Site Exposure toward Highly Stable and Active Cathode.-Journal of Physical Chemistry C-2011-01-01-115
- Searching for active binary rutile oxide catalyst for water splitting from first principles.-Physical Chemistry Chemical Physics-2012-01-01-14
- Dehydrogenation inhibition on nano-Au/ZSM-5 catalyst: a novel route for anti-coking in methanol to propylene reaction.-Chemical Communications-2012-01-01-48
- Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators.-Organometallics-2013-01-01-32
- Catalytic Role of Minority Species and Minority Sites for Electrochemical Hydrogen Evolution on Metals: Surface Charging, Coverage, and Tafel Kinetics.-Journal of Physical Chemistry C-2013-01-01-117
