Publications

pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper. Nature Communications, Xinyan Liu, Philomena Schlexer, Jianping Xiao, Yongfei Ji, Lei Wang, Robert B. Sandberg, Michael Tang, Kristopher S. Brown, Hongjie Peng, Stefan Ringe, Christopher Hahn, Thomas F. Jaramillo, Jens K. Nørskov , Karen Chan. (2019)
Prediction of stable and active (oxy-hydro) oxide nanoislands on noble metal supports for electrochemical oxygen reduction reaction. ACS Applied Materials & Interfaces, Seoin Back, Martin H. Hansen, Jose A. Garrido Torres, Zhenghang Zhao, Jens K. Nørskov, Samira Siahrostami, Michal Bajdich. (2018)
An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces. Surface Science, Colin F. Dickens, Joseph H Montoya, Ambarish R Kulkarni, Michal Bajdich, Jens K. Nørskov . (2019)
Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single Atom Catalysts. Journal of Physical Chemistry C, Anjli M Patel, Stefan Ringe, Samira Siahrostami, Michal Bajdich, Jens K. Nørskov , Ambarish R Kulkarni. (2018)
Theoretical and Experimental Studies of CoGa Catalysts for the Hydrogenation of CO2 to Methanol. Catalysis Letters, Joseph A. Singh, Ang Cao, Julia Schumann, Tao Wang, Jens K. Nørskov, Frank Abild-Pedersen, Stacey F. Bent. (2018)
Strongly Modified Scaling of CO Hydrogenation in Metal Supported TiO Nanostripes. ACS Catalysis, Robert Sandberg , Martin H. Hansen, Jens K. Nørskov , Frank Abild-Pedersen, Michal Bajdich. (2018)
Mechanistic Insights into the Synthesis of Higher Alcohols from Syngas on CuCo Alloys. ACS Catalysis, Ang Cao, Julia Schumann, Tao Wang, Linan Zhang, Jianping Xiao, Pallavi Bothra, Yuan Liu, Frank Abild-Pedersen, Jens K Nørskov. (2018)
Tuning Methane Activation Chemistry on Alkaline Earth Metal Oxides by Doping. The Journal of Physical Chemistry C, Hassan Aljama, Jens K Nørskov, Frank Abild-Pedersen. (2018)
Discovery of a highly active molybdenum phosphide catalyst for methanol synthesis from CO and CO2. Angewandte Chemie, Melis S. Duyar, Charlie Tsai, Jonathan L. Snider, Joseph Singh, Alessandro Gallo, Jong Suk Yoo, Andrew J. Medford, Frank Abild-Pedersen, Felix Studt, Jakob Kibsgaard, Stacey Bent, Jens K. Nørskov, Thomas F. Jaramillo. (2018)
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer. Nature Communications, Leanne D. Chen, Michal Bajdich, J. Mark P. Martirez, Caroline M. Krauter, Joseph A. Gauthier, Emily A. Carter, Alan C. Luntz, Karen Chan, Jens K. Nørskov. (2018)
Direct Methane to Methanol: The Selectivity-Conversion Limit and Design Strategies. ACS Catalysis, Allegra A. Latimer, Arvin Kakekhani, Ambarish Kulkarni, Jens K. Nørskov. (2018)
Theoretical investigation of methane oxidation on Pd (111) and other metallic surfaces. The Journal of Physical Chemistry C, Jong Suk Yoo, Julia Schumann, Felix Studt, Frank Abild-Pedersen, Jens K Nørskov. (2018)
The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction. Journal of Physical Chemistry C, Meredith Fields, Xin Hong, Jens K Nørskov, Karen Chan. (2018)
Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide. Journal of the American Chemical Society, Shucheng Chen, Zhihua Chen, Samira Siahrostami, Drew Higgins, Dennis Nordlund, Dimosthenis Sokaras, Taeho Roy Kim, Yunzhi Liu, Xuzhou Yan, Elisabeth Nilsson, Robert Sinclair, Jens K. Norskov, Thomas F. Jaramillo, Zhenan Bao. (2018)
On the Nature of Lone Pair–Surface Bonds and Their Scaling Relations. Inorganic Chemistry, Arvin Kakekhani, Luke T. Roling, Ambarish Kulkarni, Allegra A. Latimer, Hadi Abroshan, Julia Schumann, Hassan Aljama, Samira Siahrostami, Sohrab Ismail-Beigi, Frank Abild-Pedersen, Jens K. Nørskov. (2018)
SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces. The Journal of Physical Chemistry C, Shaama Mallikarjun Sharada, Thomas Bligaard, Alan C. Luntz, Geert-Jan Kroes, Jens K. Nørskov. (2017)
A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis. Physical Chemistry Chemical Physics, Shaama Mallikarjun Sharada, Aayush Singh, Brian Andrew Rohr, Yanjing Su, Lijie Qiao, Jens K. Nørskov. (2018)
Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis. ACS Catalysis, Aayush Singh, Joseph H. Montoya, Brian Andrew Rohr, Charlie Tsai , Aleksandra Vojvodic, Jens K. Nørskov. (2018)
Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides. Physical Chemistry Chemical Physics, Joseph H. Montoya, Andrew Doyle, Jens K. Nørskov, Aleksandra Vojvodic. (2018)