System scaling relations

System scaling relations

Recently, we have shown for a number of different systems that adsorbates with comparable electronic energy levels interact with the same surfaces in a similar way. The degeneracy of the energy levels now fully describes how different energies correlate and each line shift according to the surface structure (its reactivity). This means that we can determine the energetics of a reaction from much fewer calculations. Such models of reactivity trends that single out the important parameters describing the catalytic activity or selectivity are the essential prerequisites for the tailoring of surfaces with specified catalytic properties. In principle, there are many parameters that enter into the kinetics of a given reaction: the energy of all intermediates and of the transition states separating them is needed to specify the energetics.

Publications

Displaying 21 - 38 of 38

Jong Suk Yoo, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt. ACS Catalysis, 4, 1226-1233. 2014.

Chuan-Ming Wang, Rasmus Y. Brogaard, Bert M. Weckhuysen, Jens K. Nørskov, Felix Studt. The Journal of Physical Chemistry Letters, 5, 1516-1521. 2014.

Edward L. Kunkes, Felix Studt, Frank Abild-Pedersen, Robert Schlögl, Malte Behrens. Journal of Catalysis, 328, 43-48. 2015.

Charlie Tsai, Allegra A. Latimer, Jong Suk Yoo, Felix Studt, Frank Abild-Pedersen. The Journal of Physical Chemistry Letters, 6, 3670-3674. 2015.

Jakob Kibsgaard, Charlie Tsai, Karen Chan, Jesse D. Benck, Jens K. Nørskov, Frank Abild-Pedersen, Thomas F. Jaramillo. Energy & Environmental Science, 8, 3022-3029. 2015.

Nuoya Yang, Andrew J. Medford, Xinyan Liu, Felix Studt, Thomas Bligaard, Stacey F. Bent, Jens K. Nørskov. Journal of the American Chemical Society, 138, 3705-3714. 2016.

Delfina Garcia-Pintos, Johannes Voss, Anker D Jensen, Felix Studt. Journal of Physical Chemistry C, 120, 18529-18537. 2016.

Allegra A. Latimer, Ambarish R. Kulkarni, Hassan Aljama, Joseph H. Montoya, Jong Suk Yoo, Charlie Tsai, Frank Abild-Pedersen, Felix Studt, Jens K. Nørskov. Nature Materials, 16, 225-229. 2017.

Liang Yu, Frank Abild-Pedersen. ACS Catalysis, 7, 864-871. 2017.

Allegra A. Latimer, Hassan Aljama, Arvin Kakekhani, Jong Suk Yoo, Ambarish Kulkarni, Charlie Tsai, Max Garcia-Melchor, Frank Abild-Pedersen, Jens K. Nørskov. Physical Chemistry Chemical Physics, 19, 3575-3581. 2017.

Meredith Fields, Charlie Tsai, Leanne D. Chen, Frank Abild-Pedersen, Jens K. Nørskov, Karen Chan. ACS Catalysis, 7, 2528-2534. 2017.

Zachary W. Ulissi, Andrew J. Medford, Thomas Bligaard, Jens K. Nørskov. Nature Communications

Xinyan Liu, Jianping Xiao, Hongjie Peng, Xin Hong, Karen Chan, Jens K. Nørskov. Nature communications. 2017.

Zachary Ulissi, Michael Tang, Jianping Xiao, Xinyan Liu, Daniel A Torelli, Mohammadreza Karamad, Kyle Cummins, Christopher Hahn, Nathan S Lewis, Thomas F Jaramillo, Karen Chan, Jens K Norskov. ACS Catalysis, 7, 6600. 2017.

Allegra A. Latimer, Arvin Kakekhani, Ambarish Kulkarni, Jens K. Nørskov. ACS Catalysis, 8, 6894. 2018.

Seoin Back, Martin H. Hansen, Jose A. Garrido Torres, Zhenghang Zhao, Jens K. Nørskov, Samira Siahrostami, Michal Bajdich. ACS Applied Materials & Interfaces. 2018.

Sara R. Kelly, Charlotte Kirk, Karen Chan, Jens K. Nørskov. Journal of Physical chemistry C. 2020.

Michael T. Tang, Hongjie Peng, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen. Applied Catalysis B: Environmental, 279, 119384. 2020.