• Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations 

  Wang, Yalan; Xiao, Ling; Qi, Yanying; Mahmoodinia, Mehdi; Feng, Xiang; Yang, Jia; Zhu, Yi-An; Chen, De (Peer reviewed; Journal article, 2019)

  Understanding the scaling relations of adsorption energies and activation energies greatly facilitates the computational catalyst design. To reduce the computational cost and guarantee efficiency, improved scaling relations ...

• Methane activation on bimetallic catalysts: properties and functions of surface Ni-Ag alloy 

  Dam, Anh Hoang; Wang, Hongmin; Dehghan-Niri, Roya; Yu, Xiaofeng; Walmsley, John; Holmen, Anders; Yang, Jia; Chen, De (Peer reviewed; Journal article, 2019)

  The paper presents a fundamental study of the properties and functions of well‐defined Ni−Ag surface alloys in methane decomposition and steam reforming, aiming at providing a better understanding of the principle for ...

• Promotional effect of in-situ generated hydroxyl on olefin selectivity of Co-catalyzed Fischer-Tropsch synthesis 

  Qi, Yanying; Aaserud, Christian; Yang, Jia; Holmen, Anders; Chen, De (Peer reviewed; Journal article, 2019)

  The understanding of the water effect on olefin selectivity in Fischer–Tropsch synthesis (FTS) is limited by the complexity of the reaction network. Herein, we employ propene hydrogenation as a model reaction to isolate ...

• Understanding effects of Ni particle size on steam methane reforming activity by combined experimental and theoretical analysis 

  Wang, Yalan; Wang, Hongmin; Dam, Anh Hoang; Xiao, Ling; Qi, Yanying; Niu, Juntian; Yang, Jia; Zhu, Yi-An; Holmen, Anders; Chen, De (Journal article, 2019)

  Fundamental understanding of the size-dependent activity is essential to harness powers of the nanocatalysts. Here we report an experimental and theoretical study of the Ni particle size effect on activity of steam methane ...

• Boosting the electrochemical performance through proton transfer for the Zn-ion hybrid supercapacitor with both ionic liquid and organic electrolytes 

  Zhou, Haitao; Chen, De (Peer reviewed; Journal article, 2019)

  Zn-ion hybrid supercapacitors have been proposed as a promising energy storage candidate compared to Li-ion hybrid technology due to the highly abundant Zn resources and their low cost. However, simultaneously achieving ...

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