Research ArticlePHYSICAL SCIENCES

Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts

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Science Advances  26 Jul 2017:
Vol. 3, no. 7, e1700939
DOI: 10.1126/sciadv.1700939

Article Information

vol. 3 no. 7

Online ISSN: 
History: 
  • Received for publication March 22, 2017
  • Accepted for publication June 23, 2017
  • .

Author Information

  1. Wei Liu1,
  2. Yingda Jiang1,
  3. Karl-Heinz Dostert2,
  4. Casey P. O’Brien2,
  5. Wiebke Riedel2,
  6. Aditya Savara2,*,
  7. Swetlana Schauermann2,3, and
  8. Alexandre Tkatchenko2,4,
  1. 1Nano Structural Materials Center, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu, China.
  2. 2Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.
  3. 3Christian-Albrechts-Universität zu Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany.
  4. 4Physics and Materials Science Research Unit, University of Luxembourg, L-1511 Luxembourg, Luxembourg.
  1. Corresponding author. Email: alexandre.tkatchenko{at}uni.lu (A.T.); schauermann{at}pctc.uni-kiel.de (S.S.)
  • * Present address: Oak Ridge National Laboratory, Chemical Sciences Division, 1 Bethel Valley Road, Oak Ridge, TN 37830, USA.

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