First principles based design of a Ni catalyst with improved stability

由 Jing, X., Saeys, M.
出版 2014

First principles study of the effect of carbon and boron on the activity of a Ni catalyst

由 Xu, J., Saeys, M.
出版 2014

Improving the coking resistance of Ni-based catalysts by promotion with subsurface boron

由 Xu, J., Saeys, M.
出版 2014

Construction of an ab initio kinetic model for industrial ethane pyrolysis

由 Sun, W., Saeys, M.
出版 2014

First principles study of the coking resistance and the activity of a boron promoted Ni catalyst

由 Xu, J., Saeys, M.
出版 2014

First principles study of the reaction of formic and acetic acids with hydroxyl radicals

由 Sun, W., Saeys, M.
出版 2014

First principles study of the stability and the formation kinetics of subsurface and bulk carbon on a Ni catalyst

由 Xu, J., Saeys, M.
出版 2014

Modeling industrial ethane steam cracking from first principles

由 Sun, W., Saeys, M.
出版 2014

First principle reaction path analysis of the Fischer-Tropsch synthesis mechanism. Effect of CO coverage on the kinetics of the CO insertion mechanism

由 Zhuo, M., Saeys, M.
出版 2014

Coking mechanism and promoter design for Ni-based catalysts: A first principles study

由 Jing, X., Saeys, M.
出版 2014

Aryl Fluoride Reductive Elimination from PdII Complexes: A Descriptor to Guide Ligand Selection

由 Cui, L., Saeys, M.
出版 2014

Effect of the CO coverage on the Fischer-Tropsch synthesis mechanism on cobalt catalysts

由 Zhuo, M., Borgna, A., Saeys, M.
出版 2014

Surface-potential solutions to the Pao-Sah voltage equation

由 Shangguan, W.Z., Saeys, M., Zhou, X.
出版 2014

Ab initio reaction path analysis for the initial hydrogen abstraction from organic acids by hydroxyl radicals

由 Sun, W., Yang, L., Yu, L., Saeys, M.
出版 2014

Surface reconstruction of MoS2 to Mo2S3

由 Tiwari, R.K., Yang, J., Saeys, M., Joachim, C.
出版 2014

Improving the stability of cobalt Fischer-Tropsch catalysts by boron promotion

由 Saeys, M., Tan, K.F., Chang, J., Borgna, A.
出版 2014

Evaluating the structure of catalysts using core-level binding energies calculated from first principles

由 Trinh, Q.T., Tan, K.F., Borgna, A., Saeys, M.
出版 2014

Effect of boron promotion on the stability of cobalt Fischer-Tropsch catalysts

由 Tan, K.F., Chang, J., Borgna, A., Saeys, M.
出版 2014

Improving oxygen reduction efficiency in direct methanol fuel cells through structured catalyst design

由 Yang, J., Xu, J., Saeys, M., Lee, J.Y.
出版 2014

Controlled manipulation of CO oxidation rate on Pt/anatase via the schwab effect

由 Seebauer, E.G., Saeys, M., Chua, Y.P.G.
出版 2014