Publications

Publikationer rss feed

2020
 

A Combined Theory‐Experiment Analysis of the Surface Species in Lithium‐Mediated NH3 Electrosynthesis

Schwalbe, Jay A. ; Statt, Michael J. ; Chosy, Cullen ; Singh, Aayush R. ; Rohr, Brian A. ; Nielander, Adam C. ; Andersen, Suzanne Zamany ; McEnaney, Joshua M. ; Baker, Jon G. ; Jaramillo, Thomas F. ; Norskov, Jens K. ; Cargnello, Matteo
in: ChemElectroChem, vol: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/celc.201902124

 

Confined local oxygen gas promotes electrochemical water oxidation to hydrogen peroxide

Xia, Chuan ; Back, Seoin ; Ringe, Stefan ; Chen, Fanhong ; Sun, Xiaoming ; Siahrostami, Samira ; Chan, Karen ; Wang, Haotian
in: Nature Catalysis

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1038/s41929-019-0402-8

 

Effect of manganese on the selective catalytic hydrogenation of COx in the presence of light hydrocarbons over Ni/Al2O3: An experimental and computational study

Shadravan, Vahid ; Bukas, Vanessa Jane ; Gunasooriya, G.T. Kasun Kalhara ; Waleson, Jason ; Drewery, Matthew ; Karibika, Joel ; Jones, Jamie ; Kennedy, Eric ; Adesina, Adesoji ; Nørskov, Jens Kehlet ; Stockenhuber, Michael
in: A C S Catalysis, vol: 10, pages: 1535-1547

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acscatal.9b04863

 

Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface

Kristoffersen, Henrik H. ; Chan, Karen ; Vegge, Tejs ; Hansen, Heine Anton
in: Chemical Communications

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1039/c9cc07769c

 

Fingerprint Voltammograms of Copper Single Crystals under Alkaline Conditions: A Fundamental Mechanistic Analysis

Tiwari, Aarti ; Heenen, Hendrik H. ; Bjørnlund, Anton Simon ; Maagaard, Thomas ; Cho, EunAe ; Chorkendorff, Ib ; Kristoffersen, Henrik H. ; Chan, Karen ; Horch, Sebastian
in: Journal of Physical Chemistry Letters, vol: 11, pages: 1450-1455

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jpclett.9b03728

 

Implications of the Fractional Charge of Hydroxide at the Electrochemical Interface

Gauthier, Joseph A. ; Chen, Leanne D. ; Bajdich, Michal ; Chan, Karen
in: Physical Chemistry Chemical Physics

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020

 

Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction

Anand, Megha ; Nørskov, Jens K.
in: ACS Catalysis, vol: 10, pages: 336-345

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acscatal.9b04323

  PDF

Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches

Heenen, Hendrik H. ; Gauthier, Joseph A. ; Kristoffersen, Henrik H. ; Ludwig, Thomas ; Chan, Karen
in: Journal of Chemical Physics

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020

2019
  PDF

Correction: Understanding cation effects in electrochemical CO2 reduction

Ringe, Stefan ; Clark, Ezra Lee ; Resasco, Joaquin ; Walton, Amber ; Seger, Brian ; Bell, Alexis T. ; Chan, Karen
in: Energy and Environmental Science, vol: 12, issue: 12, pages: 3609-3610

Type: Journal article

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9ee90056j

 

Effect of Competitive Adsorption at the Interface between Aqueous Electrolyte and Solid Electrode

Kristoffersen, Henrik H. ; Chang, Jin Hyun
part of: Computational Photocatalysis, pages: 225-238, 2019, American Chemical Society

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/bk-2019-1331.ch010