Electro-reduction of nitrogen on molybdenum nitride: structure, energetics, and vibrational spectra from DFT

Successive Heterolytic Cleavages of H2 Achieve N2 Splitting on Silica-Supported Tantalum Hydrides: A DFT Proposed Mechanism

(2012) Xavier Solans-Monfort et al.   INORGANIC CHEMISTRY

Computational Study of the Vibrational Structure of the Ammonia Molecule Adsorbed on the fcc (111) Transition Metal Surfaces

(2012) Elina Sälli et al.   Journal of Physical Chemistry C

Density Functional Theory Study of Oxygen Reduction Activity on Ultrathin Platinum Nanotubes

(2012) Ivana Matanović et al.   Journal of Physical Chemistry C

Theoretical Study of Electrochemical Processes on Pt–Ni Alloys

(2011) Ivana Matanović et al.   Journal of Physical Chemistry C

A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

(2011) Egill Skúlason et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reaction mechanism for hydrodenitrogenation of carbazole on molybdenum nitride based on DFT study

(2010) Hiroyuki Tominaga et al.   APPLIED CATALYSIS A-GENERAL

Structure determination of adsorbed hydrogen on a real catalyst

(2010) Stewart F. Parker et al.   CHEMICAL COMMUNICATIONS

Shell-anchor-core structures for enhanced stability and catalytic oxygen reduction activity

(2010) Gustavo E. Ramirez-Caballero et al.   JOURNAL OF CHEMICAL PHYSICS

A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia

(2010) Kazuya Arashiba et al.   Nature Chemistry

Steady state oxygenreduction and cyclic voltammetry

(2008) Jan Rossmeisl et al.   FARADAY DISCUSSIONS

Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces

(2008) Anand Udaykumar Nilekar et al.   SURFACE SCIENCE